N-butyl-N,3-dimethylpyridine-4-carboxamide

C12H18N2O — CID 110855737

IUPACN-butyl-N,3-dimethylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccncc1C
InChIInChI=1S/C12H18N2O/c1-4-5-8-14(3)12(15)11-6-7-13-9-10(11)2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFSGPCDODGVQXDW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.26
Rot. Bonds4

About N-butyl-N,3-dimethylpyridine-4-carboxamide

N-butyl-N,3-dimethylpyridine-4-carboxamide (PubChem CID 110855737) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-butyl-N,3-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,3-dimethylpyridine-4-carboxamide
PubChem CID110855737
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-butyl-N,3-dimethylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccncc1C
InChIInChI=1S/C12H18N2O/c1-4-5-8-14(3)12(15)11-6-7-13-9-10(11)2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFSGPCDODGVQXDW-UHFFFAOYSA-N
XLogP2.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N,2,3-trimethylpyridine-4-carboxamide
CID 110855754
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
CID 105063090
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3-dimethylpyridine-4-carboxamide?
The IUPAC name of N-butyl-N,3-dimethylpyridine-4-carboxamide (CID 110855737) is N-butyl-N,3-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N,3-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-N,3-dimethylpyridine-4-carboxamide is CCCCN(C)C(=O)c1ccncc1C.
What is the InChIKey of N-butyl-N,3-dimethylpyridine-4-carboxamide?
The InChIKey is FSGPCDODGVQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-8-14(3)12(15)11-6-7-13-9-10(11)2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-N,3-dimethylpyridine-4-carboxamide?
N-butyl-N,3-dimethylpyridine-4-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 110855737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).