N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide

C20H18ClN3O — CID 157442215

IUPACN-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC2=C(C1)C(c1ccccc1)=NC2
InChIInChI=1S/C20H18ClN3O/c21-17-8-4-5-9-18(17)23-20(25)24-11-10-15-12-22-19(16(15)13-24)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,25)
InChIKeyBRUNTKSQYJTWTG-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.38
Rot. Bonds2

About N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide

N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide (PubChem CID 157442215) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
PubChem CID157442215
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC2=C(C1)C(c1ccccc1)=NC2
InChIInChI=1S/C20H18ClN3O/c21-17-8-4-5-9-18(17)23-20(25)24-11-10-15-12-22-19(16(15)13-24)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,25)
InChIKeyBRUNTKSQYJTWTG-UHFFFAOYSA-N
XLogP4.38
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide 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

N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911561
5-bromo-N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170835790
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
CID 159128879
1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973455
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033159
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
N-(2-chlorophenyl)-4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080024
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide (CID 157442215) is N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide is O=C(Nc1ccccc1Cl)N1CCC2=C(C1)C(c1ccccc1)=NC2.
What is the InChIKey of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The InChIKey is BRUNTKSQYJTWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-8-4-5-9-18(17)23-20(25)24-11-10-15-12-22-19(16(15)13-24)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 157442215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).