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

C24H26N4O2 — CID 66689479

IUPACN-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2)c1=O
InChIInChI=1S/C24H26N4O2/c1-16-9-10-17(22(29)26-19-11-12-19)15-20(16)28-14-13-25-21(23(28)30)27-24(2,3)18-7-5-4-6-8-18/h4-10,13-15,19H,11-12H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyAWSYHXQOARJYBV-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.78
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide (PubChem CID 66689479) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide
PubChem CID66689479
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2)c1=O
InChIInChI=1S/C24H26N4O2/c1-16-9-10-17(22(29)26-19-11-12-19)15-20(16)28-14-13-25-21(23(28)30)27-24(2,3)18-7-5-4-6-8-18/h4-10,13-15,19H,11-12H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyAWSYHXQOARJYBV-UHFFFAOYSA-N
XLogP3.78
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11373432
1-{5-[3-(7-Tert-Butyl-4-Oxoquinazolin-3(4h)-Yl)-2-Methylphenyl]-1-Methyl-2-Oxo-1,2-Dihydropyridin-3-Yl}-3-Methylurea
CID 25264450
N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
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N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-[(3S)-3-methylpiperazin-1-yl]-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
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CID 66689707
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide (CID 66689479) is N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide?
The InChIKey is AWSYHXQOARJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-9-10-17(22(29)26-19-11-12-19)15-20(16)28-14-13-25-21(23(28)30)27-24(2,3)18-7-5-4-6-8-18/h4-10,13-15,19H,11-12H2,1-3H3,(H,25,27)(H,26,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.78, 6 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-phenylpropan-2-ylamino)pyrazin-1-yl]benzamide is sourced from PubChem (CID 66689479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).