(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C17H24N4O2 — CID 164641563

IUPAC(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1C[C@@H](C(=O)Nc2nccnc2C2CC2)CC1=O
InChIInChI=1S/C17H24N4O2/c1-3-13(4-2)21-10-12(9-14(21)22)17(23)20-16-15(11-5-6-11)18-7-8-19-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,20,23)/t12-/m0/s1
InChIKeyAYSGGSJYBPYLOF-LBPRGKRZSA-N
MW316.41 g/mol
LogP2.33
Rot. Bonds6

About (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 164641563) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID164641563
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1C[C@@H](C(=O)Nc2nccnc2C2CC2)CC1=O
InChIInChI=1S/C17H24N4O2/c1-3-13(4-2)21-10-12(9-14(21)22)17(23)20-16-15(11-5-6-11)18-7-8-19-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,20,23)/t12-/m0/s1
InChIKeyAYSGGSJYBPYLOF-LBPRGKRZSA-N
XLogP2.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-Cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899897
N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 136570679
[2-[6-(Methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110271207
7-tert-butyl-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-one
CID 57786416
5-cyclopropyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 66863982
2-cyclopropyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 68236051
2-cyclopropyl-N-[(3R)-2-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 68236881
1-[5-(2-Methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one
CID 70902945
N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide
CID 71229207
7,7-Dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one
CID 86694149
N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 88901832
2,7-Di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one
CID 121384025

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 164641563) is (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1C[C@@H](C(=O)Nc2nccnc2C2CC2)CC1=O.
What is the InChIKey of (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is AYSGGSJYBPYLOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-13(4-2)21-10-12(9-14(21)22)17(23)20-16-15(11-5-6-11)18-7-8-19-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,20,23)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164641563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).