N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide

C16H27N3O — CID 109217701

IUPACN-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N(C)CCCC)ccn1
InChIInChI=1S/C16H27N3O/c1-5-7-11-18(3)14-9-10-17-15(13-14)16(20)19(4)12-8-6-2/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyKEDYFBOXKFDIPI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.19
Rot. Bonds8

About N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide

N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 109217701) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID109217701
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N(C)CCCC)ccn1
InChIInChI=1S/C16H27N3O/c1-5-7-11-18(3)14-9-10-17-15(13-14)16(20)19(4)12-8-6-2/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyKEDYFBOXKFDIPI-UHFFFAOYSA-N
XLogP3.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide (CID 109217701) is N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(N(C)CCCC)ccn1.
What is the InChIKey of N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is KEDYFBOXKFDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-7-11-18(3)14-9-10-17-15(13-14)16(20)19(4)12-8-6-2/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide?
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109217701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).