N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

C20H21FN4O3 — CID 78098612

IUPACN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)C(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-14-7-5-12(6-8-14)16(18(22)26)25-19(27)15-9-23-17(13-3-4-13)20(24-15)28-10-11-1-2-11/h5-9,11,13,16H,1-4,10H2,(H2,22,26)(H,25,27)
InChIKeyLSSURWFTLSWIDD-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.24
Rot. Bonds8

About N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 78098612) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID78098612
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)C(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-14-7-5-12(6-8-14)16(18(22)26)25-19(27)15-9-23-17(13-3-4-13)20(24-15)28-10-11-1-2-11/h5-9,11,13,16H,1-4,10H2,(H2,22,26)(H,25,27)
InChIKeyLSSURWFTLSWIDD-UHFFFAOYSA-N
XLogP2.24
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-carbamoyl-phenyl-methyl)-amide
CID 71525576
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyrazine-2-carboxylic acid ((S)-carbamoyl-phenyl-methyl)-amide
CID 71525669
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide
CID 71525850
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-1-pyridin-2-yl-ethyl)-amide
CID 71525945
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-2-yl-ethyl)-amide
CID 71526034
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71526221
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid [(S)-carbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 71526222
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid (1,1-dimethyl-3-pyridin-4-yl-propyl)-amide
CID 71526313
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid (1,1-dimethyl-3-pyridin-4-yl-butyl)-amide
CID 71526315
2-fluoro-N-[(1r,4r)-4-[(3-cyanopyrazin-2-yl)oxy]cyclohexyl]benzamide
CID 91626144
4-fluoro-N-[(1r,4r)-4-[(3-cyanopyrazin-2-yl)oxy]cyclohexyl]benzamide
CID 91626145
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 78098612) is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is NC(=O)C(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is LSSURWFTLSWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-14-7-5-12(6-8-14)16(18(22)26)25-19(27)15-9-23-17(13-3-4-13)20(24-15)28-10-11-1-2-11/h5-9,11,13,16H,1-4,10H2,(H2,22,26)(H,25,27).
What are the key properties of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 78098612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).