N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide

C23H23ClN4O2 — CID 50818061

IUPACN-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/C(=N\Cc2ccccn2)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C23H23ClN4O2/c1-3-30-19-12-10-17(11-13-19)22(29)28-23(26-15-18-7-4-5-14-25-18)27-21-9-6-8-20(24)16(21)2/h4-14H,3,15H2,1-2H3,(H2,26,27,28,29)
InChIKeyNFRXIDVZZVDIOL-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.84
Rot. Bonds6

About N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide

N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide (PubChem CID 50818061) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide
PubChem CID50818061
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/C(=N\Cc2ccccn2)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C23H23ClN4O2/c1-3-30-19-12-10-17(11-13-19)22(29)28-23(26-15-18-7-4-5-14-25-18)27-21-9-6-8-20(24)16(21)2/h4-14H,3,15H2,1-2H3,(H2,26,27,28,29)
InChIKeyNFRXIDVZZVDIOL-UHFFFAOYSA-N
XLogP4.84
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[N-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50817762
4-chloro-N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818156
methyl 4-[[N-(3-chlorophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamoyl]benzoate
CID 50818566
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
ethyl N-(4-methylbenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
CID 7306857
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
3-methoxy-N-[N-phenyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818075
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22775730
3-methyl-N-[N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50817971
N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-methoxybenzamide
CID 50818276
4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773287

Frequently Asked Questions

What is the IUPAC name of N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide?
The IUPAC name of N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide (CID 50818061) is N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide?
The canonical SMILES for N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/C(=N\Cc2ccccn2)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide?
The InChIKey is NFRXIDVZZVDIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-3-30-19-12-10-17(11-13-19)22(29)28-23(26-15-18-7-4-5-14-25-18)27-21-9-6-8-20(24)16(21)2/h4-14H,3,15H2,1-2H3,(H2,26,27,28,29).
What are the key properties of N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide?
N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide has a molecular weight of 422.92 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-4-ethoxybenzamide is sourced from PubChem (CID 50818061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).