3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide

C23H24N4O — CID 50817762

IUPAC3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
SMILESCc1ccc(C(=O)N/C(=N\Cc2ccccn2)Nc2ccccc2C)cc1C
InChIInChI=1S/C23H24N4O/c1-16-11-12-19(14-18(16)3)22(28)27-23(25-15-20-9-6-7-13-24-20)26-21-10-5-4-8-17(21)2/h4-14H,15H2,1-3H3,(H2,25,26,27,28)
InChIKeyXKQAGPOHBACILV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.40
Rot. Bonds4

About 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide

3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide (PubChem CID 50817762) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
PubChem CID50817762
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
SMILESCc1ccc(C(=O)N/C(=N\Cc2ccccn2)Nc2ccccc2C)cc1C
InChIInChI=1S/C23H24N4O/c1-16-11-12-19(14-18(16)3)22(28)27-23(25-15-20-9-6-7-13-24-20)26-21-10-5-4-8-17(21)2/h4-14H,15H2,1-3H3,(H2,25,26,27,28)
InChIKeyXKQAGPOHBACILV-UHFFFAOYSA-N
XLogP4.40
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N-(2,4-dimethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 50818107
N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-3,4-dimethylbenzamide
CID 50771276
3-methyl-N-[N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50817971
3,4-dimethoxy-N-[N-(2-methylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818585
N-[N-(2-methoxy-5-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide
CID 50818482
N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide
CID 50818061
3-methyl-N-[N-(2-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771336
N-[N-(4-bromophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-methylbenzamide
CID 50817965
3-methoxy-N-[N-phenyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818075
methyl 3-[[N-benzoyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate
CID 50818417
4-ethyl-N-[N-(3-fluorophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818421
methyl N-(3,4-dichlorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
CID 7230477

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide (CID 50817762) is 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide is Cc1ccc(C(=O)N/C(=N\Cc2ccccn2)Nc2ccccc2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide?
The InChIKey is XKQAGPOHBACILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-11-12-19(14-18(16)3)22(28)27-23(25-15-20-9-6-7-13-24-20)26-21-10-5-4-8-17(21)2/h4-14H,15H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide?
3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 50817762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).