3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid

C11H15N3O3 — CID 114765268

IUPAC3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
SMILESCc1cc(C(N)=O)cc(NC(C)CC(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-6-3-8(11(12)17)5-9(13-6)14-7(2)4-10(15)16/h3,5,7H,4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyNOJVQPBBUVROGP-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.76
Rot. Bonds5

About 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid

3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid (PubChem CID 114765268) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
PubChem CID114765268
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
SMILESCc1cc(C(N)=O)cc(NC(C)CC(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-6-3-8(11(12)17)5-9(13-6)14-7(2)4-10(15)16/h3,5,7H,4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyNOJVQPBBUVROGP-UHFFFAOYSA-N
XLogP0.76
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid
CID 114765592
6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid
CID 114765426
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 114765528
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
CID 114765509
3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
CID 114474267
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid
CID 115266549
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
CID 113378590
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
CID 114770110
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
2-bromo-6-methylpyridine-4-carboxamide
CID 87482032

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid?
The IUPAC name of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid (CID 114765268) is 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid is Cc1cc(C(N)=O)cc(NC(C)CC(=O)O)n1.
What is the InChIKey of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid?
The InChIKey is NOJVQPBBUVROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-3-8(11(12)17)5-9(13-6)14-7(2)4-10(15)16/h3,5,7H,4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid?
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 114765268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).