trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide

C19H20FN3O2 — CID 94811747

IUPACtrans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C19H20FN3O2/c1-12-3-2-4-17(22-12)23-18(24)9-10-21-19(25)16-11-15(16)13-5-7-14(20)8-6-13/h2-8,15-16H,9-11H2,1H3,(H,21,25)(H,22,23,24)/t15-,16+/m1/s1
InChIKeyHJDPIYYUKXIZBW-CVEARBPZSA-N
MW341.39 g/mol
LogP2.78
Rot. Bonds6

About trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 94811747) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID94811747
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Nametrans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C19H20FN3O2/c1-12-3-2-4-17(22-12)23-18(24)9-10-21-19(25)16-11-15(16)13-5-7-14(20)8-6-13/h2-8,15-16H,9-11H2,1H3,(H,21,25)(H,22,23,24)/t15-,16+/m1/s1
InChIKeyHJDPIYYUKXIZBW-CVEARBPZSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47830812
cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 95307181
3-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111232652
3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111230119
2-(4-fluorophenyl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78866705
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
trans-(1R,2R)-2-(4-chlorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95299100
3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
CID 52989681
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
trans-(1S,2S)-2-(4-chlorophenyl)-N-[3-oxo-3-(prop-2-ynylamino)propyl]cyclopropane-1-carboxamide
CID 95307240

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 94811747) is trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide is Cc1cccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1.
What is the InChIKey of trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is HJDPIYYUKXIZBW-CVEARBPZSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-3-2-4-17(22-12)23-18(24)9-10-21-19(25)16-11-15(16)13-5-7-14(20)8-6-13/h2-8,15-16H,9-11H2,1H3,(H,21,25)(H,22,23,24)/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94811747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).