N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

C17H20N4O2 — CID 46405527

IUPACN-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESNC(=O)NC(=O)CCN1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C17H20N4O2/c18-17(23)19-15(22)8-10-21-12-11-20-9-4-7-14(20)16(21)13-5-2-1-3-6-13/h1-7,9,16H,8,10-12H2,(H3,18,19,22,23)
InChIKeyBSZBXTYCIBWVPW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.48
Rot. Bonds4

About N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide (PubChem CID 46405527) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
PubChem CID46405527
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESNC(=O)NC(=O)CCN1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C17H20N4O2/c18-17(23)19-15(22)8-10-21-12-11-20-9-4-7-14(20)16(21)13-5-2-1-3-6-13/h1-7,9,16H,8,10-12H2,(H3,18,19,22,23)
InChIKeyBSZBXTYCIBWVPW-UHFFFAOYSA-N
XLogP1.48
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide
CID 78860854
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
N-(4-methylphenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55601063
1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 112820085
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
(1S)-2-[2-(4-nitrophenyl)ethyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 52680632
2-[[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 46481999
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 46405546
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
1-methyl-3-[4-oxo-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]imidazolidine-2,4-dione
CID 134054478

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide (CID 46405527) is N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide is NC(=O)NC(=O)CCN1CCn2cccc2C1c1ccccc1.
What is the InChIKey of N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The InChIKey is BSZBXTYCIBWVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17(23)19-15(22)8-10-21-12-11-20-9-4-7-14(20)16(21)13-5-2-1-3-6-13/h1-7,9,16H,8,10-12H2,(H3,18,19,22,23).
What are the key properties of N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 46405527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).