6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid

C15H21N3O4 — CID 119181957

IUPAC6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCCNC(=O)CN(CCC)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H21N3O4/c1-3-8-16-13(19)10-18(9-4-2)14(20)11-6-5-7-12(17-11)15(21)22/h5-7H,3-4,8-10H2,1-2H3,(H,16,19)(H,21,22)
InChIKeyLPBDTFANGQFOSV-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.16
Rot. Bonds8

About 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid

6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119181957) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119181957
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCCNC(=O)CN(CCC)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H21N3O4/c1-3-8-16-13(19)10-18(9-4-2)14(20)11-6-5-7-12(17-11)15(21)22/h5-7H,3-4,8-10H2,1-2H3,(H,16,19)(H,21,22)
InChIKeyLPBDTFANGQFOSV-UHFFFAOYSA-N
XLogP1.16
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721
5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62955102
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide
CID 55893228
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
CID 119741246
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457

Frequently Asked Questions

What is the IUPAC name of 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid (CID 119181957) is 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid is CCCNC(=O)CN(CCC)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LPBDTFANGQFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-8-16-13(19)10-18(9-4-2)14(20)11-6-5-7-12(17-11)15(21)22/h5-7H,3-4,8-10H2,1-2H3,(H,16,19)(H,21,22).
What are the key properties of 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid?
6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119181957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).