N-butyl-N-propylpyridine-3-carboxamide

C13H20N2O — CID 71107257

IUPACN-butyl-N-propylpyridine-3-carboxamide
SMILESCCCCN(CCC)C(=O)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-3-5-10-15(9-4-2)13(16)12-7-6-8-14-11-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyKWDGZRPLRPSGGX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.73
Rot. Bonds6

About N-butyl-N-propylpyridine-3-carboxamide

N-butyl-N-propylpyridine-3-carboxamide (PubChem CID 71107257) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-butyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-propylpyridine-3-carboxamide
PubChem CID71107257
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-butyl-N-propylpyridine-3-carboxamide
SMILESCCCCN(CCC)C(=O)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-3-5-10-15(9-4-2)13(16)12-7-6-8-14-11-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyKWDGZRPLRPSGGX-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
CID 18735846
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 78862411
ethyl N-butyl-N-(pyridine-3-carbonyl)carbamodithioate
CID 44550750
1-pyridin-3-ylpentan-1-one
CID 12648543
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881
N-(2-bromoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922718

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propylpyridine-3-carboxamide?
The IUPAC name of N-butyl-N-propylpyridine-3-carboxamide (CID 71107257) is N-butyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-propylpyridine-3-carboxamide is CCCCN(CCC)C(=O)c1cccnc1.
What is the InChIKey of N-butyl-N-propylpyridine-3-carboxamide?
The InChIKey is KWDGZRPLRPSGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-5-10-15(9-4-2)13(16)12-7-6-8-14-11-12/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of N-butyl-N-propylpyridine-3-carboxamide?
N-butyl-N-propylpyridine-3-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 71107257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).