5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C20H20N4O — CID 109191220

IUPAC5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)NCc3cccnc3)nc2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-15(2)10-18(9-14)24-17-5-6-19(22-13-17)20(25)23-12-16-4-3-7-21-11-16/h3-11,13,24H,12H2,1-2H3,(H,23,25)
InChIKeyVJDFVZGRZWVKGT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.77
Rot. Bonds5

About 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191220) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109191220
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)NCc3cccnc3)nc2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-15(2)10-18(9-14)24-17-5-6-19(22-13-17)20(25)23-12-16-4-3-7-21-11-16/h3-11,13,24H,12H2,1-2H3,(H,23,25)
InChIKeyVJDFVZGRZWVKGT-UHFFFAOYSA-N
XLogP3.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 135186889
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109191220) is 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is Cc1cc(C)cc(Nc2ccc(C(=O)NCc3cccnc3)nc2)c1.
What is the InChIKey of 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VJDFVZGRZWVKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-15(2)10-18(9-14)24-17-5-6-19(22-13-17)20(25)23-12-16-4-3-7-21-11-16/h3-11,13,24H,12H2,1-2H3,(H,23,25).
What are the key properties of 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).