N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C19H18N4O — CID 109191642

IUPACN-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(NCc2ccncc2)cn1)c1ccccc1
InChIInChI=1S/C19H18N4O/c1-23(17-5-3-2-4-6-17)19(24)18-8-7-16(14-22-18)21-13-15-9-11-20-12-10-15/h2-12,14,21H,13H2,1H3
InChIKeyVMNCRUAIXZZIIL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191642) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191642
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(NCc2ccncc2)cn1)c1ccccc1
InChIInChI=1S/C19H18N4O/c1-23(17-5-3-2-4-6-17)19(24)18-8-7-16(14-22-18)21-13-15-9-11-20-12-10-15/h2-12,14,21H,13H2,1H3
InChIKeyVMNCRUAIXZZIIL-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109193694
5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109231849
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191642) is N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CN(C(=O)c1ccc(NCc2ccncc2)cn1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is VMNCRUAIXZZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23(17-5-3-2-4-6-17)19(24)18-8-7-16(14-22-18)21-13-15-9-11-20-12-10-15/h2-12,14,21H,13H2,1H3.
What are the key properties of N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).