2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid

C13H19N3O3 — CID 63615434

IUPAC2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(CCN(C)C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-9(6-8-16(2)3)15-12(17)11-10(13(18)19)5-4-7-14-11/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyVBKFCDXXSCJPAV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.85
Rot. Bonds6

About 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid

2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615434) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63615434
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(CCN(C)C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-9(6-8-16(2)3)15-12(17)11-10(13(18)19)5-4-7-14-11/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyVBKFCDXXSCJPAV-UHFFFAOYSA-N
XLogP0.85
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 107524045
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
CID 143839961
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 122448607
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid (CID 63615434) is 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid is CC(CCN(C)C)NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is VBKFCDXXSCJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(6-8-16(2)3)15-12(17)11-10(13(18)19)5-4-7-14-11/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid?
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).