6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C25H22N4O — CID 109157814

IUPAC6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C25H22N4O/c30-25(28-18-22-11-7-8-16-26-22)21-14-15-24(27-17-21)29(23-12-5-2-6-13-23)19-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,28,30)
InChIKeyMSIXTMOURHJSSP-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.74
Rot. Bonds7

About 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109157814) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109157814
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C25H22N4O/c30-25(28-18-22-11-7-8-16-26-22)21-14-15-24(27-17-21)29(23-12-5-2-6-13-23)19-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,28,30)
InChIKeyMSIXTMOURHJSSP-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153077
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 48659585
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021177

Frequently Asked Questions

What is the IUPAC name of 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109157814) is 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(N(Cc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MSIXTMOURHJSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(28-18-22-11-7-8-16-26-22)21-14-15-24(27-17-21)29(23-12-5-2-6-13-23)19-20-9-3-1-4-10-20/h1-17H,18-19H2,(H,28,30).
What are the key properties of 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109157814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).