N-butyl-N,2,3-trimethylpyridine-4-carboxamide

C13H20N2O — CID 110855754

IUPACN-butyl-N,2,3-trimethylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C)c1C
InChIInChI=1S/C13H20N2O/c1-5-6-9-15(4)13(16)12-7-8-14-11(3)10(12)2/h7-8H,5-6,9H2,1-4H3
InChIKeyRLYLOOUHNWWPKH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.57
Rot. Bonds4

About N-butyl-N,2,3-trimethylpyridine-4-carboxamide

N-butyl-N,2,3-trimethylpyridine-4-carboxamide (PubChem CID 110855754) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-butyl-N,2,3-trimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2,3-trimethylpyridine-4-carboxamide
PubChem CID110855754
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-butyl-N,2,3-trimethylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C)c1C
InChIInChI=1S/C13H20N2O/c1-5-6-9-15(4)13(16)12-7-8-14-11(3)10(12)2/h7-8H,5-6,9H2,1-4H3
InChIKeyRLYLOOUHNWWPKH-UHFFFAOYSA-N
XLogP2.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N,3-dimethylpyridine-4-carboxamide
CID 110855737
N,2,3-trimethyl-N-phenylpyridine-4-carboxamide
CID 110856944
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,3-trimethylpyridine-4-carboxamide?
The IUPAC name of N-butyl-N,2,3-trimethylpyridine-4-carboxamide (CID 110855754) is N-butyl-N,2,3-trimethylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N,2,3-trimethylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-N,2,3-trimethylpyridine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(C)c1C.
What is the InChIKey of N-butyl-N,2,3-trimethylpyridine-4-carboxamide?
The InChIKey is RLYLOOUHNWWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-6-9-15(4)13(16)12-7-8-14-11(3)10(12)2/h7-8H,5-6,9H2,1-4H3.
What are the key properties of N-butyl-N,2,3-trimethylpyridine-4-carboxamide?
N-butyl-N,2,3-trimethylpyridine-4-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,3-trimethylpyridine-4-carboxamide is sourced from PubChem (CID 110855754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).