N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C19H18N4O — CID 109212856

IUPACN-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccccn3)ccn2)cc1
InChIInChI=1S/C19H18N4O/c1-14-5-7-15(8-6-14)23-19(24)18-12-16(9-11-21-18)22-13-17-4-2-3-10-20-17/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyGODFFGHPAQOCDP-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.65
Rot. Bonds5

About N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109212856) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109212856
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccccn3)ccn2)cc1
InChIInChI=1S/C19H18N4O/c1-14-5-7-15(8-6-14)23-19(24)18-12-16(9-11-21-18)22-13-17-4-2-3-10-20-17/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyGODFFGHPAQOCDP-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212879
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109212856) is N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NCc3ccccn3)ccn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is GODFFGHPAQOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-5-7-15(8-6-14)23-19(24)18-12-16(9-11-21-18)22-13-17-4-2-3-10-20-17/h2-12H,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109212856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).