N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide

C23H24N4O2 — CID 75463659

IUPACN-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)c2ccnc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-24-22(28)19-10-8-18(9-11-19)16-27(2)20-12-13-25-21(14-20)23(29)26-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyYLTBNPLXGXPURS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.01
Rot. Bonds7

About N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide

N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide (PubChem CID 75463659) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
PubChem CID75463659
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)c2ccnc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-24-22(28)19-10-8-18(9-11-19)16-27(2)20-12-13-25-21(14-20)23(29)26-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyYLTBNPLXGXPURS-UHFFFAOYSA-N
XLogP3.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
CID 60877624
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
4-N-benzyl-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085931
4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114
4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109211074

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide (CID 75463659) is N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide is CNC(=O)c1ccc(CN(C)c2ccnc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide?
The InChIKey is YLTBNPLXGXPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-24-22(28)19-10-8-18(9-11-19)16-27(2)20-12-13-25-21(14-20)23(29)26-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide?
N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 75463659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).