4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid

C13H18N2O4 — CID 129054265

IUPAC4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)[nH]c(=O)c1
InChIInChI=1S/C13H18N2O4/c1-3-5-15(6-4-2)12(17)9-7-10(13(18)19)14-11(16)8-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyUVJFURCYYNKDNI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.34
Rot. Bonds6

About 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid

4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 129054265) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID129054265
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)[nH]c(=O)c1
InChIInChI=1S/C13H18N2O4/c1-3-5-15(6-4-2)12(17)9-7-10(13(18)19)14-11(16)8-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyUVJFURCYYNKDNI-UHFFFAOYSA-N
XLogP1.34
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-5,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 17750422
6-oxo-4-[propyl(4,4,4-trifluorobutyl)carbamoyl]-1H-pyridine-2-carboxylic acid
CID 129054321
4-[methyl(4,4,4-trifluorobutyl)carbamoyl]-6-oxo-1H-pyridine-2-carboxylic acid
CID 129054533
4-Methyl-6-carboxy-methylpyrid-2-one
CID 129782587
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264624
5-Ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 13597169
5-ethyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 20775012
1,4-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 53665467
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 69472125
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
CID 69472879
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 69475477
2-[2-(dimethylamino)-2-oxoethyl]-6-oxo-1H-pyridine-4-carboxylic acid
CID 69838909

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 129054265) is 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid is CCCN(CCC)C(=O)c1cc(C(=O)O)[nH]c(=O)c1.
What is the InChIKey of 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is UVJFURCYYNKDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-5-15(6-4-2)12(17)9-7-10(13(18)19)14-11(16)8-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylcarbamoyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 129054265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).