N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C20H20N4O — CID 109213435

IUPACN-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCc3ccncc3)ccn2)c1C
InChIInChI=1S/C20H20N4O/c1-14-4-3-5-18(15(14)2)24-20(25)19-12-17(8-11-22-19)23-13-16-6-9-21-10-7-16/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRGFWAVBBAYGJSK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213435) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213435
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCc3ccncc3)ccn2)c1C
InChIInChI=1S/C20H20N4O/c1-14-4-3-5-18(15(14)2)24-20(25)19-12-17(8-11-22-19)23-13-16-6-9-21-10-7-16/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRGFWAVBBAYGJSK-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212284
4-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109215565
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210580
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
4-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109201977
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
4-amino-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 62156095

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109213435) is N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(NCc3ccncc3)ccn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is RGFWAVBBAYGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-4-3-5-18(15(14)2)24-20(25)19-12-17(8-11-22-19)23-13-16-6-9-21-10-7-16/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).