5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide

C15H16N4O2 — CID 81310441

IUPAC5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C15H16N4O2/c1-19(15(21)13-7-6-12(16)8-18-13)9-10-2-4-11(5-3-10)14(17)20/h2-8H,9,16H2,1H3,(H2,17,20)
InChIKeyXLYPTBYZULFSBS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.03
Rot. Bonds4

About 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide

5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 81310441) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID81310441
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C15H16N4O2/c1-19(15(21)13-7-6-12(16)8-18-13)9-10-2-4-11(5-3-10)14(17)20/h2-8H,9,16H2,1H3,(H2,17,20)
InChIKeyXLYPTBYZULFSBS-UHFFFAOYSA-N
XLogP1.03
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
5-N-benzyl-5-N-methylpyridine-2,5-dicarboxamide
CID 47460377
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
methyl 6-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 35745836
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
CID 116605339
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 81310441) is 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XLYPTBYZULFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19(15(21)13-7-6-12(16)8-18-13)9-10-2-4-11(5-3-10)14(17)20/h2-8H,9,16H2,1H3,(H2,17,20).
What are the key properties of 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide?
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81310441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).