2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

C23H29N3O3 — CID 46255616

IUPAC2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCOc1ccccc1CN1C(=O)Cn2cccc2C1C(=O)NC1CCCCC1C
InChIInChI=1S/C23H29N3O3/c1-16-8-3-5-10-18(16)24-23(28)22-19-11-7-13-25(19)15-21(27)26(22)14-17-9-4-6-12-20(17)29-2/h4,6-7,9,11-13,16,18,22H,3,5,8,10,14-15H2,1-2H3,(H,24,28)
InChIKeyHRXZMJNJUAAEQN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 46255616) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID46255616
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCOc1ccccc1CN1C(=O)Cn2cccc2C1C(=O)NC1CCCCC1C
InChIInChI=1S/C23H29N3O3/c1-16-8-3-5-10-18(16)24-23(28)22-19-11-7-13-25(19)15-21(27)26(22)14-17-9-4-6-12-20(17)29-2/h4,6-7,9,11-13,16,18,22H,3,5,8,10,14-15H2,1-2H3,(H,24,28)
InChIKeyHRXZMJNJUAAEQN-UHFFFAOYSA-N
XLogP3.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 129419743
(1R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 92734561
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
10-[(2-methoxyphenyl)methyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756812
2-(2-methoxyphenyl)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 110437884
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109904
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylcyclohexyl)acetamide
CID 106484685

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 46255616) is 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is COc1ccccc1CN1C(=O)Cn2cccc2C1C(=O)NC1CCCCC1C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is HRXZMJNJUAAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-8-3-5-10-18(16)24-23(28)22-19-11-7-13-25(19)15-21(27)26(22)14-17-9-4-6-12-20(17)29-2/h4,6-7,9,11-13,16,18,22H,3,5,8,10,14-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 46255616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).