N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide

C22H28N4O2 — CID 129162378

IUPACN-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCCCC2(NC(=O)c3ccccc3)CCCC2)cn1
InChIInChI=1S/C22H28N4O2/c1-17-15-25-19(16-24-17)21(28)23-14-8-7-13-22(11-5-6-12-22)26-20(27)18-9-3-2-4-10-18/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,23,28)(H,26,27)
InChIKeyQPUGZYGCTGTPFY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.43
Rot. Bonds8

About N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide

N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide (PubChem CID 129162378) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide
PubChem CID129162378
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCCCC2(NC(=O)c3ccccc3)CCCC2)cn1
InChIInChI=1S/C22H28N4O2/c1-17-15-25-19(16-24-17)21(28)23-14-8-7-13-22(11-5-6-12-22)26-20(27)18-9-3-2-4-10-18/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,23,28)(H,26,27)
InChIKeyQPUGZYGCTGTPFY-UHFFFAOYSA-N
XLogP3.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide (CID 129162378) is N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCCCCC2(NC(=O)c3ccccc3)CCCC2)cn1.
What is the InChIKey of N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is QPUGZYGCTGTPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-15-25-19(16-24-17)21(28)23-14-8-7-13-22(11-5-6-12-22)26-20(27)18-9-3-2-4-10-18/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,23,28)(H,26,27).
What are the key properties of N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide?
N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzamidocyclopentyl)butyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 129162378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).