3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide

C16H18N4O — CID 10401520

IUPAC3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2)nc1C(=O)NC1CCCC1
InChIInChI=1S/C16H18N4O/c17-15-14(16(21)19-12-8-4-5-9-12)20-13(10-18-15)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H2,17,18)(H,19,21)
InChIKeyQSJBDQAYWVMFRM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide

3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide (PubChem CID 10401520) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide
PubChem CID10401520
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2)nc1C(=O)NC1CCCC1
InChIInChI=1S/C16H18N4O/c17-15-14(16(21)19-12-8-4-5-9-12)20-13(10-18-15)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H2,17,18)(H,19,21)
InChIKeyQSJBDQAYWVMFRM-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide (CID 10401520) is 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccccc2)nc1C(=O)NC1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide?
The InChIKey is QSJBDQAYWVMFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-15-14(16(21)19-12-8-4-5-9-12)20-13(10-18-15)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide?
3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 10401520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).