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

C25H26N4O2 — CID 66688818

IUPACN-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N2CCCC2c2ccccc2)c1=O
InChIInChI=1S/C25H26N4O2/c1-17-9-10-19(24(30)27-20-11-12-20)16-22(17)29-15-13-26-23(25(29)31)28-14-5-8-21(28)18-6-3-2-4-7-18/h2-4,6-7,9-10,13,15-16,20-21H,5,8,11-12,14H2,1H3,(H,27,30)
InChIKeyCNIWKOPDHCQHDR-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.77
Rot. Bonds5

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

N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide (PubChem CID 66688818) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide
PubChem CID66688818
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N2CCCC2c2ccccc2)c1=O
InChIInChI=1S/C25H26N4O2/c1-17-9-10-19(24(30)27-20-11-12-20)16-22(17)29-15-13-26-23(25(29)31)28-14-5-8-21(28)18-6-3-2-4-7-18/h2-4,6-7,9-10,13,15-16,20-21H,5,8,11-12,14H2,1H3,(H,27,30)
InChIKeyCNIWKOPDHCQHDR-UHFFFAOYSA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide (CID 66688818) is N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N2CCCC2c2ccccc2)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide?
The InChIKey is CNIWKOPDHCQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17-9-10-19(24(30)27-20-11-12-20)16-22(17)29-15-13-26-23(25(29)31)28-14-5-8-21(28)18-6-3-2-4-7-18/h2-4,6-7,9-10,13,15-16,20-21H,5,8,11-12,14H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-oxo-3-(2-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 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-phenylpyrrolidin-1-yl)pyrazin-1-yl]benzamide is sourced from PubChem (CID 66688818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).