N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide

C18H31N3O — CID 143233524

IUPACN,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)CCN(C)CCC(C)C)nc1
InChIInChI=1S/C18H31N3O/c1-14(2)9-11-20(5)12-10-16(4)21(6)18(22)17-8-7-15(3)13-19-17/h7-8,13-14,16H,9-12H2,1-6H3
InChIKeyWPOHVJDMZXQCSW-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.22
Rot. Bonds8

About N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide

N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide (PubChem CID 143233524) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide
PubChem CID143233524
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)CCN(C)CCC(C)C)nc1
InChIInChI=1S/C18H31N3O/c1-14(2)9-11-20(5)12-10-16(4)21(6)18(22)17-8-7-15(3)13-19-17/h7-8,13-14,16H,9-12H2,1-6H3
InChIKeyWPOHVJDMZXQCSW-UHFFFAOYSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-[4-(methylamino)butan-2-yl]pyridine-2-carboxamide
CID 143233459
N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640934
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane
CID 144799349
5-hydrazinyl-N-methyl-N-pentan-2-ylpyrazine-2-carboxamide
CID 107377494
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
CID 97313105
6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
CID 63881450
N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
CID 160549181
N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104641279
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104640516

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide (CID 143233524) is N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide is Cc1ccc(C(=O)N(C)C(C)CCN(C)CCC(C)C)nc1.
What is the InChIKey of N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide?
The InChIKey is WPOHVJDMZXQCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14(2)9-11-20(5)12-10-16(4)21(6)18(22)17-8-7-15(3)13-19-17/h7-8,13-14,16H,9-12H2,1-6H3.
What are the key properties of N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide?
N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide has a molecular weight of 305.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 143233524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).