3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid

C12H15ClN2O3 — CID 103925925

IUPAC3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-2-3-9(7-11(16)17)15-12(18)8-4-5-14-10(13)6-8/h4-6,9H,2-3,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyVYHISNLXWFPNBC-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.11
Rot. Bonds6

About 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid

3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 103925925) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
PubChem CID103925925
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-2-3-9(7-11(16)17)15-12(18)8-4-5-14-10(13)6-8/h4-6,9H,2-3,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyVYHISNLXWFPNBC-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
3-[(4-chloro-3-fluorobenzoyl)amino]hexanoic acid
CID 106703685
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 99814772
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753662
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid (CID 103925925) is 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is VYHISNLXWFPNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-3-9(7-11(16)17)15-12(18)8-4-5-14-10(13)6-8/h4-6,9H,2-3,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid?
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 103925925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).