3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide

C21H20N4O2 — CID 95101240

IUPAC3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-8-10-17(11-9-14)20(26)25-19-18(22-12-13-23-19)21(27)24-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,24,27)(H,23,25,26)/t15-/m1/s1
InChIKeyDLGWCFQLHNAKGH-OAHLLOKOSA-N
MW360.42 g/mol
LogP3.53
Rot. Bonds5

About 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide

3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide (PubChem CID 95101240) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide
PubChem CID95101240
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-8-10-17(11-9-14)20(26)25-19-18(22-12-13-23-19)21(27)24-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,24,27)(H,23,25,26)/t15-/m1/s1
InChIKeyDLGWCFQLHNAKGH-OAHLLOKOSA-N
XLogP3.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166520
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide (CID 95101240) is 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide?
The InChIKey is DLGWCFQLHNAKGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-8-10-17(11-9-14)20(26)25-19-18(22-12-13-23-19)21(27)24-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,24,27)(H,23,25,26)/t15-/m1/s1.
What are the key properties of 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide?
3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95101240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).