N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide

C23H23N3O2 — CID 121499615

IUPACN-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide
SMILESCc1cnc(C)c(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)cc2)n1
InChIInChI=1S/C23H23N3O2/c1-15-13-24-16(2)22(25-15)18-6-8-19(9-7-18)23(28)26(20-10-11-20)14-17-4-3-5-21(27)12-17/h3-9,12-13,20,27H,10-11,14H2,1-2H3
InChIKeyPDBJIDSCIHNQBF-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.27
Rot. Bonds5

About N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide

N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide (PubChem CID 121499615) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide
PubChem CID121499615
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide
SMILESCc1cnc(C)c(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)cc2)n1
InChIInChI=1S/C23H23N3O2/c1-15-13-24-16(2)22(25-15)18-6-8-19(9-7-18)23(28)26(20-10-11-20)14-17-4-3-5-21(27)12-17/h3-9,12-13,20,27H,10-11,14H2,1-2H3
InChIKeyPDBJIDSCIHNQBF-UHFFFAOYSA-N
XLogP4.27
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]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-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 62954767
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70750734
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide (CID 121499615) is N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide is Cc1cnc(C)c(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide?
The InChIKey is PDBJIDSCIHNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-13-24-16(2)22(25-15)18-6-8-19(9-7-18)23(28)26(20-10-11-20)14-17-4-3-5-21(27)12-17/h3-9,12-13,20,27H,10-11,14H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide?
N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 121499615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).