5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid

C13H15N3O3 — CID 82016813

IUPAC5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H15N3O3/c1-9(2-5-12(17)18)7-16-13(19)11-4-3-10(6-14)8-15-11/h3-4,8-9H,2,5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyJOAIXNZJTRXDHI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds6

About 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid

5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82016813) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82016813
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H15N3O3/c1-9(2-5-12(17)18)7-16-13(19)11-4-3-10(6-14)8-15-11/h3-4,8-9H,2,5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyJOAIXNZJTRXDHI-UHFFFAOYSA-N
XLogP1.18
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid (CID 82016813) is 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is JOAIXNZJTRXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(2-5-12(17)18)7-16-13(19)11-4-3-10(6-14)8-15-11/h3-4,8-9H,2,5,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82016813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).