6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid

C13H18N2O3 — CID 43558340

IUPAC6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(CC)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O3/c1-3-5-9-15(4-2)12(16)10-7-6-8-11(14-10)13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyWJGCBACPLWKFAX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.04
Rot. Bonds6

About 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid

6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558340) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558340
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(CC)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O3/c1-3-5-9-15(4-2)12(16)10-7-6-8-11(14-10)13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyWJGCBACPLWKFAX-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119181957
N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
CID 63390828
N-butyl-1-chloro-N-ethylisoquinoline-3-carboxamide
CID 43343375
N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
CID 78785110
N-ethyl-6-hydrazinyl-N-propylpyridine-2-carboxamide
CID 62243182
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558340) is 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid is CCCCN(CC)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WJGCBACPLWKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-5-9-15(4-2)12(16)10-7-6-8-11(14-10)13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid?
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).