4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide

C16H18N4O2 — CID 86870098

IUPAC4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C16H18N4O2/c1-11-6-7-12(15(17)21)9-14(11)19-16(22)20(2)10-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H2,17,21)(H,19,22)
InChIKeyXTSGLOWNMULDLI-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds4

About 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide

4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide (PubChem CID 86870098) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
PubChem CID86870098
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C16H18N4O2/c1-11-6-7-12(15(17)21)9-14(11)19-16(22)20(2)10-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H2,17,21)(H,19,22)
InChIKeyXTSGLOWNMULDLI-UHFFFAOYSA-N
XLogP2.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47490885
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 47493098
4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
2-methoxy-N-[4-methyl-3-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]phenyl]acetamide
CID 72842851
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide?
The IUPAC name of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide (CID 86870098) is 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide.
What is the SMILES notation for 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide?
The canonical SMILES for 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide is Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccccn1.
What is the InChIKey of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide?
The InChIKey is XTSGLOWNMULDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-6-7-12(15(17)21)9-14(11)19-16(22)20(2)10-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H2,17,21)(H,19,22).
What are the key properties of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide?
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide has a molecular weight of 298.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 86870098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).