2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid

C13H19N3O3 — CID 43631332

IUPAC2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1nc(C)cc(C)c1C(N)=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-5-9(13(18)19)16-12-10(11(14)17)7(2)6-8(3)15-12/h6,9H,4-5H2,1-3H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyVCLYKSUIFUXSOY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds6

About 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid

2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid (PubChem CID 43631332) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid
PubChem CID43631332
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1nc(C)cc(C)c1C(N)=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-5-9(13(18)19)16-12-10(11(14)17)7(2)6-8(3)15-12/h6,9H,4-5H2,1-3H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyVCLYKSUIFUXSOY-UHFFFAOYSA-N
XLogP1.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
CID 81078416
2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide
CID 63731943
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
CID 114989428
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 43598857
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 79249523

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid?
The IUPAC name of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid (CID 43631332) is 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid is CCCC(Nc1nc(C)cc(C)c1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid?
The InChIKey is VCLYKSUIFUXSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-5-9(13(18)19)16-12-10(11(14)17)7(2)6-8(3)15-12/h6,9H,4-5H2,1-3H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid?
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 43631332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).