3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid

C11H15N3O3 — CID 43517687

IUPAC3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
SMILESCNC(=O)c1cc(NC(C)CC(=O)O)ccn1
InChIInChI=1S/C11H15N3O3/c1-7(5-10(15)16)14-8-3-4-13-9(6-8)11(17)12-2/h3-4,6-7H,5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyADTZUAPAECDQTP-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.72
Rot. Bonds5

About 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid

3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid (PubChem CID 43517687) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
PubChem CID43517687
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
SMILESCNC(=O)c1cc(NC(C)CC(=O)O)ccn1
InChIInChI=1S/C11H15N3O3/c1-7(5-10(15)16)14-8-3-4-13-9(6-8)11(17)12-2/h3-4,6-7H,5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyADTZUAPAECDQTP-UHFFFAOYSA-N
XLogP0.72
TPSA91.32 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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61245711
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
3-[[2-(methylcarbamoyl)-4-pyridinyl]sulfanyl]butanoic acid
CID 66115933
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
(3S)-3-(pyridin-4-ylamino)butanoic acid;dihydrochloride
CID 71432875
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
4-(hex-1-yn-3-ylamino)-N-methylpyridine-2-carboxamide
CID 114161466

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid (CID 43517687) is 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid is CNC(=O)c1cc(NC(C)CC(=O)O)ccn1.
What is the InChIKey of 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid?
The InChIKey is ADTZUAPAECDQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(5-10(15)16)14-8-3-4-13-9(6-8)11(17)12-2/h3-4,6-7H,5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid?
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid is sourced from PubChem (CID 43517687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).