(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid

C21H24ClN3O5 — CID 163341831

IUPAC(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid
SMILESO=C(Cc1ccc(Cl)cc1)N[C@@H]1C[C@H](C(=O)NCc2cccnc2)C[C@H]1O.O=CO
InChIInChI=1S/C20H22ClN3O3.CH2O2/c21-16-5-3-13(4-6-16)8-19(26)24-17-9-15(10-18(17)25)20(27)23-12-14-2-1-7-22-11-14;2-1-3/h1-7,11,15,17-18,25H,8-10,12H2,(H,23,27)(H,24,26);1H,(H,2,3)/t15-,17+,18+;/m0./s1
InChIKeyZNIJFKCGSXJQMS-FLCXFYETSA-N
MW433.89 g/mol
LogP1.55
Rot. Bonds6

About (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid

(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid (PubChem CID 163341831) has the molecular formula C21H24ClN3O5 and a molecular weight of 433.89 g/mol. Its IUPAC name is (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid.

Molecular Properties

Compound Name(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid
PubChem CID163341831
Molecular FormulaC21H24ClN3O5
Molecular Weight433.89 g/mol
Exact Mass433.14
IUPAC Name(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid
SMILESO=C(Cc1ccc(Cl)cc1)N[C@@H]1C[C@H](C(=O)NCc2cccnc2)C[C@H]1O.O=CO
InChIInChI=1S/C20H22ClN3O3.CH2O2/c21-16-5-3-13(4-6-16)8-19(26)24-17-9-15(10-18(17)25)20(27)23-12-14-2-1-7-22-11-14;2-1-3/h1-7,11,15,17-18,25H,8-10,12H2,(H,23,27)(H,24,26);1H,(H,2,3)/t15-,17+,18+;/m0./s1
InChIKeyZNIJFKCGSXJQMS-FLCXFYETSA-N
XLogP1.55
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid
CID 155972954
(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide
CID 155914451
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid?
The IUPAC name of (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid (CID 163341831) is (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid.
What is the SMILES notation for (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid?
The canonical SMILES for (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid is O=C(Cc1ccc(Cl)cc1)N[C@@H]1C[C@H](C(=O)NCc2cccnc2)C[C@H]1O.O=CO.
What is the InChIKey of (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid?
The InChIKey is ZNIJFKCGSXJQMS-FLCXFYETSA-N. The full InChI is InChI=1S/C20H22ClN3O3.CH2O2/c21-16-5-3-13(4-6-16)8-19(26)24-17-9-15(10-18(17)25)20(27)23-12-14-2-1-7-22-11-14;2-1-3/h1-7,11,15,17-18,25H,8-10,12H2,(H,23,27)(H,24,26);1H,(H,2,3)/t15-,17+,18+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid?
(1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid has a molecular weight of 433.89 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-[[2-(4-chlorophenyl)acetyl]amino]-4-hydroxy-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide;formic acid is sourced from PubChem (CID 163341831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).