1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H15ClN2O3 — CID 113309086

IUPAC1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1ccncc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-10-7-15-6-3-9(10)11(17)16-8-13(12(18)19)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyQTXKLSLKLRKCPA-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.11
Rot. Bonds4

About 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309086) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309086
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1ccncc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-10-7-15-6-3-9(10)11(17)16-8-13(12(18)19)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyQTXKLSLKLRKCPA-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
CID 103969750
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
1-[[(2-chloro-3-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435717
1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 66463581
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 113309086) is 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)c1ccncc1Cl.
What is the InChIKey of 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is QTXKLSLKLRKCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-7-15-6-3-9(10)11(17)16-8-13(12(18)19)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).