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

C14H19N3O3 — CID 61289525

IUPAC1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC(=O)c1cc(NC2(C(=O)O)CCCC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-2-15-12(18)11-9-10(5-8-16-11)17-14(13(19)20)6-3-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyURZCFSJHKXKXAR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.64
Rot. Bonds5

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

1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61289525) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61289525
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNC(=O)c1cc(NC2(C(=O)O)CCCC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-2-15-12(18)11-9-10(5-8-16-11)17-14(13(19)20)6-3-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyURZCFSJHKXKXAR-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxamide
CID 115360776
4-[[1-(aminomethyl)cyclohexyl]amino]-N-ethylpyridine-2-carboxamide
CID 63759268
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 55155310
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
CID 66004621

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid (CID 61289525) is 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid is CCNC(=O)c1cc(NC2(C(=O)O)CCCC2)ccn1.
What is the InChIKey of 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is URZCFSJHKXKXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-15-12(18)11-9-10(5-8-16-11)17-14(13(19)20)6-3-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61289525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).