3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid

C12H15ClN2O3 — CID 81066288

IUPAC3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccncc1Cl)CC(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-8(5-11(16)17)6-15-12(18)9-3-4-14-7-10(9)13/h3-4,7-8H,2,5-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyGWAXBLRQBKKHHF-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.97
Rot. Bonds6

About 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid

3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81066288) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID81066288
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccncc1Cl)CC(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-8(5-11(16)17)6-15-12(18)9-3-4-14-7-10(9)13/h3-4,7-8H,2,5-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyGWAXBLRQBKKHHF-UHFFFAOYSA-N
XLogP1.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid (CID 81066288) is 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccncc1Cl)CC(=O)O.
What is the InChIKey of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is GWAXBLRQBKKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-8(5-11(16)17)6-15-12(18)9-3-4-14-7-10(9)13/h3-4,7-8H,2,5-6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid?
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81066288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).