N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

C23H24N4O — CID 50847665

IUPACN-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESCc1cccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c1
InChIInChI=1S/C23H24N4O/c1-17-6-4-7-18(14-17)16-26-23(28)20-9-5-8-19(15-20)21-22(25-11-10-24-21)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,26,28)
InChIKeyCUGUAQQHFWSWBI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.98
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50847665) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50847665
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESCc1cccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c1
InChIInChI=1S/C23H24N4O/c1-17-6-4-7-18(14-17)16-26-23(28)20-9-5-8-19(15-20)21-22(25-11-10-24-21)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,26,28)
InChIKeyCUGUAQQHFWSWBI-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide 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-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847636
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 50847566
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848199
N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 118764258
N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101533
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (CID 50847665) is N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is Cc1cccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is CUGUAQQHFWSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-6-4-7-18(14-17)16-26-23(28)20-9-5-8-19(15-20)21-22(25-11-10-24-21)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,26,28).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50847665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).