2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid

C11H13N3O4 — CID 63652524

IUPAC2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
SMILESCC(=O)NCCC(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-7(15)12-6-4-9(16)14-10-8(11(17)18)3-2-5-13-10/h2-3,5H,4,6H2,1H3,(H,12,15)(H,17,18)(H,13,14,16)
InChIKeyWTVDEBLKGCCUKE-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.24
Rot. Bonds5

About 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid

2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid (PubChem CID 63652524) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
PubChem CID63652524
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
SMILESCC(=O)NCCC(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-7(15)12-6-4-9(16)14-10-8(11(17)18)3-2-5-13-10/h2-3,5H,4,6H2,1H3,(H,12,15)(H,17,18)(H,13,14,16)
InChIKeyWTVDEBLKGCCUKE-UHFFFAOYSA-N
XLogP0.24
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]pyridine-3-carboxylic acid
CID 66695427
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
3-acetamido-N-phenylpropanamide
CID 7946185
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
CID 63652519
4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
CID 126828105
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid (CID 63652524) is 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid is CC(=O)NCCC(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid?
The InChIKey is WTVDEBLKGCCUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-7(15)12-6-4-9(16)14-10-8(11(17)18)3-2-5-13-10/h2-3,5H,4,6H2,1H3,(H,12,15)(H,17,18)(H,13,14,16).
What are the key properties of 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid?
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63652524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).