N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide

C23H24N4O — CID 50848199

IUPACN-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)c1
InChIInChI=1S/C23H24N4O/c1-17-6-5-7-20(16-17)26-23(28)19-10-8-18(9-11-19)21-22(25-13-12-24-21)27-14-3-2-4-15-27/h5-13,16H,2-4,14-15H2,1H3,(H,26,28)
InChIKeyHGDOJECGQBIGCK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.69
Rot. Bonds4

About N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide

N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50848199) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50848199
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)c1
InChIInChI=1S/C23H24N4O/c1-17-6-5-7-20(16-17)26-23(28)19-10-8-18(9-11-19)21-22(25-13-12-24-21)27-14-3-2-4-15-27/h5-13,16H,2-4,14-15H2,1H3,(H,26,28)
InChIKeyHGDOJECGQBIGCK-UHFFFAOYSA-N
XLogP4.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
ethyl 4-[[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]carbamoylamino]benzoate
CID 71839987
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839946
1-(3-methylsulfanylphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839924
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide (CID 50848199) is N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide is Cc1cccc(NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is HGDOJECGQBIGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-6-5-7-20(16-17)26-23(28)19-10-8-18(9-11-19)21-22(25-13-12-24-21)27-14-3-2-4-15-27/h5-13,16H,2-4,14-15H2,1H3,(H,26,28).
What are the key properties of N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50848199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).