5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C20H20N4O — CID 109233157

IUPAC5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H20N4O/c1-24(15-17-5-3-2-4-6-17)19-11-18(13-22-14-19)20(25)23-12-16-7-9-21-10-8-16/h2-11,13-14H,12,15H2,1H3,(H,23,25)
InChIKeyLKXDHGKNDPENKT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.04
Rot. Bonds6

About 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109233157) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109233157
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H20N4O/c1-24(15-17-5-3-2-4-6-17)19-11-18(13-22-14-19)20(25)23-12-16-7-9-21-10-8-16/h2-11,13-14H,12,15H2,1H3,(H,23,25)
InChIKeyLKXDHGKNDPENKT-UHFFFAOYSA-N
XLogP3.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105262

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109233157) is 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CN(Cc1ccccc1)c1cncc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LKXDHGKNDPENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(15-17-5-3-2-4-6-17)19-11-18(13-22-14-19)20(25)23-12-16-7-9-21-10-8-16/h2-11,13-14H,12,15H2,1H3,(H,23,25).
What are the key properties of 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).