4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid

C11H13ClN2O3 — CID 103932808

IUPAC4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-7(2-3-10(15)16)14-11(17)8-4-5-13-9(12)6-8/h4-7H,2-3H2,1H3,(H,14,17)(H,15,16)
InChIKeyJXFFVJONSXQFKZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.72
Rot. Bonds5

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

4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid (PubChem CID 103932808) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
PubChem CID103932808
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-7(2-3-10(15)16)14-11(17)8-4-5-13-9(12)6-8/h4-7H,2-3H2,1H3,(H,14,17)(H,15,16)
InChIKeyJXFFVJONSXQFKZ-UHFFFAOYSA-N
XLogP1.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.72
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

2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide
CID 95204797
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid (CID 103932808) is 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid?
The InChIKey is JXFFVJONSXQFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(2-3-10(15)16)14-11(17)8-4-5-13-9(12)6-8/h4-7H,2-3H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid?
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 103932808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).