(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide

C30H34F2N4O2 — CID 147173808

IUPAC(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCC(Cc2ccc(F)cc2)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C30H34F2N4O2/c1-19-24(7-12-27(33)35-19)18-34-28(37)20(2)36-29(38)23-13-14-30(17-23,15-21-3-8-25(31)9-4-21)16-22-5-10-26(32)11-6-22/h3-12,20,23H,13-18H2,1-2H3,(H2,33,35)(H,34,37)(H,36,38)/t20-,23+/m0/s1
InChIKeyBYGCECPYOCLOHK-NZQKXSOJSA-N
MW520.62 g/mol
LogP4.64
Rot. Bonds9

About (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide

(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 147173808) has the molecular formula C30H34F2N4O2 and a molecular weight of 520.62 g/mol. Its IUPAC name is (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID147173808
Molecular FormulaC30H34F2N4O2
Molecular Weight520.62 g/mol
Exact Mass520.26
IUPAC Name(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCC(Cc2ccc(F)cc2)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C30H34F2N4O2/c1-19-24(7-12-27(33)35-19)18-34-28(37)20(2)36-29(38)23-13-14-30(17-23,15-21-3-8-25(31)9-4-21)16-22-5-10-26(32)11-6-22/h3-12,20,23H,13-18H2,1-2H3,(H2,33,35)(H,34,37)(H,36,38)/t20-,23+/m0/s1
InChIKeyBYGCECPYOCLOHK-NZQKXSOJSA-N
XLogP4.64
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

L-375378
CID 154118
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-3,6-dimethyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 10387708
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042267
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-benzyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042269
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-cyclopropylmethyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266844
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-cyclobutylmethyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266860
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266873
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(3,3-diisobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266874
Butanamide, N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-((((2-pyridinylmethyl)amino)carbonyl)amino)-, (S-(R*,R*))-
CID 452983
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyridin-1-yl)-acetamide
CID 9865994

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide (CID 147173808) is (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCC(Cc2ccc(F)cc2)(Cc2ccc(F)cc2)C1.
What is the InChIKey of (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BYGCECPYOCLOHK-NZQKXSOJSA-N. The full InChI is InChI=1S/C30H34F2N4O2/c1-19-24(7-12-27(33)35-19)18-34-28(37)20(2)36-29(38)23-13-14-30(17-23,15-21-3-8-25(31)9-4-21)16-22-5-10-26(32)11-6-22/h3-12,20,23H,13-18H2,1-2H3,(H2,33,35)(H,34,37)(H,36,38)/t20-,23+/m0/s1.
What are the key properties of (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 147173808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).