2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 64816659

IUPAC2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC(=O)c1cc(NC2CCCC2C(=O)O)ccn1
InChIInChI=1S/C14H19N3O3/c1-2-15-13(18)12-8-9(6-7-16-12)17-11-5-3-4-10(11)14(19)20/h6-8,10-11H,2-5H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyLMUFXNFGMZBHPV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds5

About 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid

2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64816659) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64816659
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC(=O)c1cc(NC2CCCC2C(=O)O)ccn1
InChIInChI=1S/C14H19N3O3/c1-2-15-13(18)12-8-9(6-7-16-12)17-11-5-3-4-10(11)14(19)20/h6-8,10-11H,2-5H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyLMUFXNFGMZBHPV-UHFFFAOYSA-N
XLogP1.50
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
CID 103704015
N-ethyl-4-[(2-methylpiperidin-3-yl)amino]pyridine-2-carboxamide
CID 114695697
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66287399
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N-ethyl-4-[(2-methyloxolan-3-yl)amino]pyridine-2-carboxamide
CID 82728955
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 55033632
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide
CID 43599108
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 61289525
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid (CID 64816659) is 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid is CCNC(=O)c1cc(NC2CCCC2C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LMUFXNFGMZBHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-15-13(18)12-8-9(6-7-16-12)17-11-5-3-4-10(11)14(19)20/h6-8,10-11H,2-5H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).