cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid

C22H28N2O3 — CID 70566061

IUPACcyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNC1CCCC1.O=C(O)c1cn(C2CCCC2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C17H17NO3.C5H11N/c19-16-10-15(12-6-2-1-3-7-12)18(11-14(16)17(20)21)13-8-4-5-9-13;6-5-3-1-2-4-5/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,20,21);5H,1-4,6H2
InChIKeyBBFJIAKVWJRJRB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.22
Rot. Bonds3

About cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid

cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 70566061) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Namecyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID70566061
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namecyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNC1CCCC1.O=C(O)c1cn(C2CCCC2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C17H17NO3.C5H11N/c19-16-10-15(12-6-2-1-3-7-12)18(11-14(16)17(20)21)13-8-4-5-9-13;6-5-3-1-2-4-5/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,20,21);5H,1-4,6H2
InChIKeyBBFJIAKVWJRJRB-UHFFFAOYSA-N
XLogP4.22
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13209210
adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
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5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
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(8R)-8-tert-butyl-12-oxo-4-phenyl-5,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-11-carboxylic acid
CID 164729553
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
CID 67219744
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
(7S)-6,7-dimethyl-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 159539775
azane;benzoic acid;carbamic acid;cyclohexanamine
CID 173025744
4-(3-bromophenyl)-1-cyclopropyl-2-oxopyrimidine-5-carboxylic acid
CID 116851857
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
2-(4-aminocycloheptyl)benzoic acid
CID 115039628

Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid (CID 70566061) is cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid is NC1CCCC1.O=C(O)c1cn(C2CCCC2)c(-c2ccccc2)cc1=O.
What is the InChIKey of cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is BBFJIAKVWJRJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3.C5H11N/c19-16-10-15(12-6-2-1-3-7-12)18(11-14(16)17(20)21)13-8-4-5-9-13;6-5-3-1-2-4-5/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,20,21);5H,1-4,6H2.
What are the key properties of cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid?
cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 368.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;1-cyclopentyl-4-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 70566061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).