(2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide

C121H149FN12O7 — CID 158410691

IUPAC(2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide
SMILESCCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)C3C[C@H]3c3ncccc3F)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C)cn1)c1ccc(-c2ccc(COC)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C)n1)c1ccc(-c2ccc(COC)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C)n1)c1ccc(-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C31H39N3O2.C30H36FN3O.2C30H37N3O2/c1-6-21(4)29(32)19-34(31(35)28-18-27(28)30-9-7-8-22(5)33-30)25-14-10-23(11-15-25)24-12-16-26(17-13-24)36-20(2)3;1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)34(19-28(32)20(3)5-2)30(35)26-18-25(26)29-27(31)8-6-17-33-29;1-5-21(3)28(31)18-33(30(34)27-16-26(27)29-15-6-20(2)17-32-29)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-35-4;1-5-20(2)28(31)18-33(30(34)27-17-26(27)29-8-6-7-21(3)32-29)25-15-13-24(14-16-25)23-11-9-22(10-12-23)19-35-4/h7-17,20-21,27-29H,6,18-19,32H2,1-5H3;6,8-17,20,25-26,28H,4-5,7,18-19,32H2,1-3H3;6-15,17,21,26-28H,5,16,18-19,31H2,1-4H3;6-16,20,26-28H,5,17-19,31H2,1-4H3/t21-,27-,28-,29+;20-,25+,26?,28+;21-,26+,27+,28+;20-,26-,27-,28+/m0000/s1
InChIKeyGZGSSESELLMYKM-FAGFFNGISA-N
MW1902.60 g/mol
LogP24.13
Rot. Bonds40

About (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide

(2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 158410691) has the molecular formula C121H149FN12O7 and a molecular weight of 1902.60 g/mol. Its IUPAC name is (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide
PubChem CID158410691
Molecular FormulaC121H149FN12O7
Molecular Weight1902.60 g/mol
Exact Mass1901.17
IUPAC Name(2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide
SMILESCCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)C3C[C@H]3c3ncccc3F)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C)cn1)c1ccc(-c2ccc(COC)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C)n1)c1ccc(-c2ccc(COC)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C)n1)c1ccc(-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C31H39N3O2.C30H36FN3O.2C30H37N3O2/c1-6-21(4)29(32)19-34(31(35)28-18-27(28)30-9-7-8-22(5)33-30)25-14-10-23(11-15-25)24-12-16-26(17-13-24)36-20(2)3;1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)34(19-28(32)20(3)5-2)30(35)26-18-25(26)29-27(31)8-6-17-33-29;1-5-21(3)28(31)18-33(30(34)27-16-26(27)29-15-6-20(2)17-32-29)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-35-4;1-5-20(2)28(31)18-33(30(34)27-17-26(27)29-8-6-7-21(3)32-29)25-15-13-24(14-16-25)23-11-9-22(10-12-23)19-35-4/h7-17,20-21,27-29H,6,18-19,32H2,1-5H3;6,8-17,20,25-26,28H,4-5,7,18-19,32H2,1-3H3;6-15,17,21,26-28H,5,16,18-19,31H2,1-4H3;6-16,20,26-28H,5,17-19,31H2,1-4H3/t21-,27-,28-,29+;20-,25+,26?,28+;21-,26+,27+,28+;20-,26-,27-,28+/m0000/s1
InChIKeyGZGSSESELLMYKM-FAGFFNGISA-N
XLogP24.13
TPSA264.57 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.60
LogP ≤ 524.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide (CID 158410691) is (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide is CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)C3C[C@H]3c3ncccc3F)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C)cn1)c1ccc(-c2ccc(COC)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C)n1)c1ccc(-c2ccc(COC)cc2)cc1.CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C)n1)c1ccc(-c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is GZGSSESELLMYKM-FAGFFNGISA-N. The full InChI is InChI=1S/C31H39N3O2.C30H36FN3O.2C30H37N3O2/c1-6-21(4)29(32)19-34(31(35)28-18-27(28)30-9-7-8-22(5)33-30)25-14-10-23(11-15-25)24-12-16-26(17-13-24)36-20(2)3;1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)34(19-28(32)20(3)5-2)30(35)26-18-25(26)29-27(31)8-6-17-33-29;1-5-21(3)28(31)18-33(30(34)27-16-26(27)29-15-6-20(2)17-32-29)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-35-4;1-5-20(2)28(31)18-33(30(34)27-17-26(27)29-8-6-7-21(3)32-29)25-15-13-24(14-16-25)23-11-9-22(10-12-23)19-35-4/h7-17,20-21,27-29H,6,18-19,32H2,1-5H3;6,8-17,20,25-26,28H,4-5,7,18-19,32H2,1-3H3;6-15,17,21,26-28H,5,16,18-19,31H2,1-4H3;6-16,20,26-28H,5,17-19,31H2,1-4H3/t21-,27-,28-,29+;20-,25+,26?,28+;21-,26+,27+,28+;20-,26-,27-,28+/m0000/s1.
What are the key properties of (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide?
(2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 1902.60 g/mol, XLogP of 24.13, 40 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(6-methyl-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158410691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).