3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid

C13H19N3O3 — CID 104742758

IUPAC3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)NC(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9(7-10(17)18)16-12(19)11-8(14)5-4-6-15-11/h4-6,9H,7,14H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQGSCXMCCFFKVNE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds4

About 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid

3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid (PubChem CID 104742758) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
PubChem CID104742758
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)NC(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9(7-10(17)18)16-12(19)11-8(14)5-4-6-15-11/h4-6,9H,7,14H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQGSCXMCCFFKVNE-UHFFFAOYSA-N
XLogP1.28
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 113447809
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid (CID 104742758) is 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid is CC(C)(C)C(CC(=O)O)NC(=O)c1ncccc1N.
What is the InChIKey of 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid?
The InChIKey is QGSCXMCCFFKVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)9(7-10(17)18)16-12(19)11-8(14)5-4-6-15-11/h4-6,9H,7,14H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid?
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 104742758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).