4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide

C21H29N3O — CID 109217837

IUPAC4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29N3O/c1-6-7-14-24(5)18-12-13-22-19(15-18)20(25)23-17-10-8-16(9-11-17)21(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyORUWCUBJHCJMMC-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.87
Rot. Bonds6

About 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide

4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide (PubChem CID 109217837) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
PubChem CID109217837
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29N3O/c1-6-7-14-24(5)18-12-13-22-19(15-18)20(25)23-17-10-8-16(9-11-17)21(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyORUWCUBJHCJMMC-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109217883
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109217873
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide (CID 109217837) is 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide is CCCCN(C)c1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The InChIKey is ORUWCUBJHCJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-7-14-24(5)18-12-13-22-19(15-18)20(25)23-17-10-8-16(9-11-17)21(2,3)4/h8-13,15H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of 4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.87, 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-(4-tert-butylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).