N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide

C13H20N2O2 — CID 106753379

IUPACN-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccnc(C)c1
InChIInChI=1S/C13H20N2O2/c1-3-4-7-15(8-9-16)13(17)12-5-6-14-11(2)10-12/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyFAADBIGHOYSTFY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide

N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide (PubChem CID 106753379) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
PubChem CID106753379
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccnc(C)c1
InChIInChI=1S/C13H20N2O2/c1-3-4-7-15(8-9-16)13(17)12-5-6-14-11(2)10-12/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyFAADBIGHOYSTFY-UHFFFAOYSA-N
XLogP1.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63742331

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide (CID 106753379) is N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide is CCCCN(CCO)C(=O)c1ccnc(C)c1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide?
The InChIKey is FAADBIGHOYSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-7-15(8-9-16)13(17)12-5-6-14-11(2)10-12/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide?
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).