N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide

C28H26N4O2 — CID 66689632

IUPACN-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCc2ccccc2-c2ccccc2)c1=O
InChIInChI=1S/C28H26N4O2/c1-19-11-12-21(27(33)31-23-13-14-23)17-25(19)32-16-15-29-26(28(32)34)30-18-22-9-5-6-10-24(22)20-7-3-2-4-8-20/h2-12,15-17,23H,13-14,18H2,1H3,(H,29,30)(H,31,33)
InChIKeyRXWZJPBRFWAGEQ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.71
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide (PubChem CID 66689632) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide
PubChem CID66689632
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCc2ccccc2-c2ccccc2)c1=O
InChIInChI=1S/C28H26N4O2/c1-19-11-12-21(27(33)31-23-13-14-23)17-25(19)32-16-15-29-26(28(32)34)30-18-22-9-5-6-10-24(22)20-7-3-2-4-8-20/h2-12,15-17,23H,13-14,18H2,1H3,(H,29,30)(H,31,33)
InChIKeyRXWZJPBRFWAGEQ-UHFFFAOYSA-N
XLogP4.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methyl-3-[2-oxo-3-(3-phenylpropylamino)pyrazin-1-yl]benzamide
CID 66689834
N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689045
N-cyclopropyl-3-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66690094
N-cyclopropyl-3-[3-[(3-methoxyphenyl)methylamino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689876
N-cyclopropyl-4-methyl-3-[2-oxo-3-(1-phenylpropylamino)pyrazin-1-yl]benzamide
CID 77178772
N-cyclopropyl-3-[3-[[(1R,2R)-3-hydroxy-2-methyl-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66685987
tert-butyl N-[[3-[[[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-oxopyrazin-2-yl]amino]methyl]phenyl]methyl]carbamate
CID 86669859
N-cyclopropyl-4-methyl-3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxopyrazin-1-yl]benzamide
CID 66688605
3-[3-[[(1R,2R)-3-(tert-butylamino)-2-methyl-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 66689428
3-[3-[[1-[2-(2-chloroethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 66689514
N-cyclopropyl-3-[3-[[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689057
N-cyclopropyl-3-[3-[[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide (CID 66689632) is N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCc2ccccc2-c2ccccc2)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide?
The InChIKey is RXWZJPBRFWAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-11-12-21(27(33)31-23-13-14-23)17-25(19)32-16-15-29-26(28(32)34)30-18-22-9-5-6-10-24(22)20-7-3-2-4-8-20/h2-12,15-17,23H,13-14,18H2,1H3,(H,29,30)(H,31,33).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide is sourced from PubChem (CID 66689632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).