N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide

C16H24N4O2 — CID 91925603

IUPACN-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C16H24N4O2/c1-3-4-8-17-15(21)12-6-5-7-13(12)20-16(22)14-10-18-11(2)9-19-14/h9-10,12-13H,3-8H2,1-2H3,(H,17,21)(H,20,22)/t12-,13+/m0/s1
InChIKeyYCNAZNSQAALEQH-QWHCGFSZSA-N
MW304.39 g/mol
LogP1.60
Rot. Bonds6

About N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 91925603) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID91925603
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C16H24N4O2/c1-3-4-8-17-15(21)12-6-5-7-13(12)20-16(22)14-10-18-11(2)9-19-14/h9-10,12-13H,3-8H2,1-2H3,(H,17,21)(H,20,22)/t12-,13+/m0/s1
InChIKeyYCNAZNSQAALEQH-QWHCGFSZSA-N
XLogP1.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (CID 91925603) is N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is CCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1.
What is the InChIKey of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YCNAZNSQAALEQH-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-4-8-17-15(21)12-6-5-7-13(12)20-16(22)14-10-18-11(2)9-19-14/h9-10,12-13H,3-8H2,1-2H3,(H,17,21)(H,20,22)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91925603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).