N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

C20H20N4O — CID 109232494

IUPACN-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N4O/c1-15-5-7-16(8-6-15)11-24-20(25)17-10-19(13-21-12-17)23-14-18-4-2-3-9-22-18/h2-10,12-13,23H,11,14H2,1H3,(H,24,25)
InChIKeyBNVXFTJXNIBBTA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.33
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109232494) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109232494
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N4O/c1-15-5-7-16(8-6-15)11-24-20(25)17-10-19(13-21-12-17)23-14-18-4-2-3-9-22-18/h2-10,12-13,23H,11,14H2,1H3,(H,24,25)
InChIKeyBNVXFTJXNIBBTA-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (CID 109232494) is N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(NCc3ccccn3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is BNVXFTJXNIBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-5-7-16(8-6-15)11-24-20(25)17-10-19(13-21-12-17)23-14-18-4-2-3-9-22-18/h2-10,12-13,23H,11,14H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109232494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).