5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide

C21H26N6O2 — CID 91925573

IUPAC5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H26N6O2/c1-15-13-24-18(14-23-15)20(28)25-17-6-4-5-16(17)21(29)27-11-9-26(10-12-27)19-7-2-3-8-22-19/h2-3,7-8,13-14,16-17H,4-6,9-12H2,1H3,(H,25,28)/t16-,17+/m0/s1
InChIKeyYXENVSANJYOLRS-DLBZAZTESA-N
MW394.48 g/mol
LogP1.43
Rot. Bonds4

About 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide

5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide (PubChem CID 91925573) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
PubChem CID91925573
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H26N6O2/c1-15-13-24-18(14-23-15)20(28)25-17-6-4-5-16(17)21(29)27-11-9-26(10-12-27)19-7-2-3-8-22-19/h2-3,7-8,13-14,16-17H,4-6,9-12H2,1H3,(H,25,28)/t16-,17+/m0/s1
InChIKeyYXENVSANJYOLRS-DLBZAZTESA-N
XLogP1.43
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91912940
N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 44761689
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
[4-(methylamino)oxolan-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 66267143
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925585
5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide
CID 91925612
N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
N-cyclopropyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109093874
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138175

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide (CID 91925573) is 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is YXENVSANJYOLRS-DLBZAZTESA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-13-24-18(14-23-15)20(28)25-17-6-4-5-16(17)21(29)27-11-9-26(10-12-27)19-7-2-3-8-22-19/h2-3,7-8,13-14,16-17H,4-6,9-12H2,1H3,(H,25,28)/t16-,17+/m0/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91925573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).