5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide

C21H26N4O2 — CID 91925585

IUPAC5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C21H26N4O2/c1-15-13-24-19(14-23-15)21(27)25-18-11-5-10-17(18)20(26)22-12-6-9-16-7-3-2-4-8-16/h2-4,7-8,13-14,17-18H,5-6,9-12H2,1H3,(H,22,26)(H,25,27)/t17-,18+/m0/s1
InChIKeyAOPMLIDPJSHLFX-ZWKOTPCHSA-N
MW366.46 g/mol
LogP2.43
Rot. Bonds7

About 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide

5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide (PubChem CID 91925585) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
PubChem CID91925585
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C21H26N4O2/c1-15-13-24-19(14-23-15)21(27)25-18-11-5-10-17(18)20(26)22-12-6-9-16-7-3-2-4-8-16/h2-4,7-8,13-14,17-18H,5-6,9-12H2,1H3,(H,22,26)(H,25,27)/t17-,18+/m0/s1
InChIKeyAOPMLIDPJSHLFX-ZWKOTPCHSA-N
XLogP2.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide
CID 91925612
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
CID 110876714
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925573
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91912940
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide (CID 91925585) is 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is AOPMLIDPJSHLFX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-13-24-19(14-23-15)21(27)25-18-11-5-10-17(18)20(26)22-12-6-9-16-7-3-2-4-8-16/h2-4,7-8,13-14,17-18H,5-6,9-12H2,1H3,(H,22,26)(H,25,27)/t17-,18+/m0/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91925585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).