4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

C20H27N3O — CID 109217835

IUPAC4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H27N3O/c1-6-7-10-23(5)17-8-9-21-18(13-17)20(24)22-19-15(3)11-14(2)12-16(19)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,22,24)
InChIKeyLFLSXPCASYMIRF-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.50
Rot. Bonds6

About 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 109217835) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
PubChem CID109217835
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H27N3O/c1-6-7-10-23(5)17-8-9-21-18(13-17)20(24)22-19-15(3)11-14(2)12-16(19)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,22,24)
InChIKeyLFLSXPCASYMIRF-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
5-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109240384
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109217873

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (CID 109217835) is 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is CCCCN(C)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The InChIKey is LFLSXPCASYMIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-6-7-10-23(5)17-8-9-21-18(13-17)20(24)22-19-15(3)11-14(2)12-16(19)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,22,24).
What are the key properties of 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).