N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide

C20H21ClN2O2 — CID 127904097

IUPACN-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C20H21ClN2O2/c21-16-5-3-4-15(12-16)20(8-1-2-9-20)23-19(25)14-10-17(13-6-7-13)22-18(24)11-14/h3-5,10-13H,1-2,6-9H2,(H,22,24)(H,23,25)
InChIKeyUYGYUQVUDDHIPU-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.11
Rot. Bonds4

About N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide

N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 127904097) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID127904097
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C20H21ClN2O2/c21-16-5-3-4-15(12-16)20(8-1-2-9-20)23-19(25)14-10-17(13-6-7-13)22-18(24)11-14/h3-5,10-13H,1-2,6-9H2,(H,22,24)(H,23,25)
InChIKeyUYGYUQVUDDHIPU-UHFFFAOYSA-N
XLogP4.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119815411
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide
CID 166245513

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide (CID 127904097) is N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide is O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cc(C2CC2)[nH]c(=O)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is UYGYUQVUDDHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-16-5-3-4-15(12-16)20(8-1-2-9-20)23-19(25)14-10-17(13-6-7-13)22-18(24)11-14/h3-5,10-13H,1-2,6-9H2,(H,22,24)(H,23,25).
What are the key properties of N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide?
N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 127904097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).