N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide

C21H22N4O — CID 109190941

IUPACN-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(C(=O)NCc3ccccn3)nc2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-10-15(2)20(16(3)11-14)25-18-7-8-19(23-13-18)21(26)24-12-17-6-4-5-9-22-17/h4-11,13,25H,12H2,1-3H3,(H,24,26)
InChIKeyKGZRWJYOKOZYSE-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide

N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide (PubChem CID 109190941) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
PubChem CID109190941
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(C(=O)NCc3ccccn3)nc2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-10-15(2)20(16(3)11-14)25-18-7-8-19(23-13-18)21(26)24-12-17-6-4-5-9-22-17/h4-11,13,25H,12H2,1-3H3,(H,24,26)
InChIKeyKGZRWJYOKOZYSE-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109191002
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188428
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide (CID 109190941) is N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide is Cc1cc(C)c(Nc2ccc(C(=O)NCc3ccccn3)nc2)c(C)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The InChIKey is KGZRWJYOKOZYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-10-15(2)20(16(3)11-14)25-18-7-8-19(23-13-18)21(26)24-12-17-6-4-5-9-22-17/h4-11,13,25H,12H2,1-3H3,(H,24,26).
What are the key properties of N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109190941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).