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

C22H24N4O — CID 109171655

IUPAC2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1cc(C(=O)NCc2ccccn2)ccn1
InChIInChI=1S/C22H24N4O/c1-3-16-8-7-9-17(4-2)21(16)26-20-14-18(11-13-24-20)22(27)25-15-19-10-5-6-12-23-19/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOIQSYGKUTINPSP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.28
Rot. Bonds7

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

2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171655) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109171655
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1cc(C(=O)NCc2ccccn2)ccn1
InChIInChI=1S/C22H24N4O/c1-3-16-8-7-9-17(4-2)21(16)26-20-14-18(11-13-24-20)22(27)25-15-19-10-5-6-12-23-19/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOIQSYGKUTINPSP-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171664
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282986
2-(2,6-diethylanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174721
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171700
2-(2-ethyl-6-methylanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166794
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 53199668

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (CID 109171655) is 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is CCc1cccc(CC)c1Nc1cc(C(=O)NCc2ccccn2)ccn1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OIQSYGKUTINPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-16-8-7-9-17(4-2)21(16)26-20-14-18(11-13-24-20)22(27)25-15-19-10-5-6-12-23-19/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).