N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide

C26H28N4O3 — CID 66689260

IUPACN-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide
SMILESCOc1ccccc1C1CCCN1c1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
InChIInChI=1S/C26H28N4O3/c1-17-9-10-18(25(31)28-19-11-12-19)16-22(17)30-15-13-27-24(26(30)32)29-14-5-7-21(29)20-6-3-4-8-23(20)33-2/h3-4,6,8-10,13,15-16,19,21H,5,7,11-12,14H2,1-2H3,(H,28,31)
InChIKeyNTCIPHRSTOMPOD-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.78
Rot. Bonds6

About N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide

N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide (PubChem CID 66689260) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide
PubChem CID66689260
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide
SMILESCOc1ccccc1C1CCCN1c1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O
InChIInChI=1S/C26H28N4O3/c1-17-9-10-18(25(31)28-19-11-12-19)16-22(17)30-15-13-27-24(26(30)32)29-14-5-7-21(29)20-6-3-4-8-23(20)33-2/h3-4,6,8-10,13,15-16,19,21H,5,7,11-12,14H2,1-2H3,(H,28,31)
InChIKeyNTCIPHRSTOMPOD-UHFFFAOYSA-N
XLogP3.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[3-[[(1R,2S)-1-(2-methoxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66686032
N-cyclopropyl-4-methyl-3-[2-oxo-3-(3-phenylpropylamino)pyrazin-1-yl]benzamide
CID 66689834
N-cyclopropyl-3-[3-[(3-methoxyphenyl)methylamino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689876
3-[3-[[1-[2-(2-chloroethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 66689514
N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689045
N-cyclopropyl-4-methyl-3-[2-oxo-3-(1-phenylpropylamino)pyrazin-1-yl]benzamide
CID 77178772
N-cyclopropyl-3-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66690094
N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide
CID 66689632
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
tert-butyl N-[[3-[[[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-oxopyrazin-2-yl]amino]methyl]phenyl]methyl]carbamate
CID 86669859
N-cyclopropyl-3-[3-[[(1R,2R)-3-hydroxy-2-methyl-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66685987
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide (CID 66689260) is N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide is COc1ccccc1C1CCCN1c1nccn(-c2cc(C(=O)NC3CC3)ccc2C)c1=O.
What is the InChIKey of N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The InChIKey is NTCIPHRSTOMPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17-9-10-18(25(31)28-19-11-12-19)16-22(17)30-15-13-27-24(26(30)32)29-14-5-7-21(29)20-6-3-4-8-23(20)33-2/h3-4,6,8-10,13,15-16,19,21H,5,7,11-12,14H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide?
N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-4-methylbenzamide is sourced from PubChem (CID 66689260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).