2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid

C12H17N3O3 — CID 82546724

IUPAC2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cccnc1N)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-7(2)9(12(17)18)15-11(16)8-5-4-6-14-10(8)13/h4-7,9H,3H2,1-2H3,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyNLRONHMSWCGUBB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.89
Rot. Bonds5

About 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid

2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 82546724) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
PubChem CID82546724
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1cccnc1N)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-7(2)9(12(17)18)15-11(16)8-5-4-6-14-10(8)13/h4-7,9H,3H2,1-2H3,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyNLRONHMSWCGUBB-UHFFFAOYSA-N
XLogP0.89
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
2-amino-N-(2-methylbutyl)pyridine-3-carboxamide
CID 62692946
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
(2S)-3-methyl-2-[[2-[[2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]pentanoic acid
CID 57309904
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid (CID 82546724) is 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1cccnc1N)C(=O)O.
What is the InChIKey of 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is NLRONHMSWCGUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-7(2)9(12(17)18)15-11(16)8-5-4-6-14-10(8)13/h4-7,9H,3H2,1-2H3,(H2,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid?
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 82546724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).