3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

C21H19N3O2 — CID 838153

IUPAC3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-6-16(11-14)20(25)23-18-8-4-7-17(13-18)21(26)24-19-12-15(2)9-10-22-19/h3-13H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyGDAMAIINXAJGDC-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.20
Rot. Bonds4

About 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (PubChem CID 838153) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
PubChem CID838153
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-6-16(11-14)20(25)23-18-8-4-7-17(13-18)21(26)24-19-12-15(2)9-10-22-19/h3-13H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyGDAMAIINXAJGDC-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Jnk-IN-7
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N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (CID 838153) is 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The InChIKey is GDAMAIINXAJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-3-6-16(11-14)20(25)23-18-8-4-7-17(13-18)21(26)24-19-12-15(2)9-10-22-19/h3-13H,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 838153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).