3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide

C17H20N4O2 — CID 122185600

IUPAC3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(CO)c2)nc1C(=O)NC1CCCC1
InChIInChI=1S/C17H20N4O2/c18-16-15(17(23)20-13-6-1-2-7-13)21-14(9-19-16)12-5-3-4-11(8-12)10-22/h3-5,8-9,13,22H,1-2,6-7,10H2,(H2,18,19)(H,20,23)
InChIKeyLSNPCMAMQQSKPY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide

3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 122185600) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide
PubChem CID122185600
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(CO)c2)nc1C(=O)NC1CCCC1
InChIInChI=1S/C17H20N4O2/c18-16-15(17(23)20-13-6-1-2-7-13)21-14(9-19-16)12-5-3-4-11(8-12)10-22/h3-5,8-9,13,22H,1-2,6-7,10H2,(H2,18,19)(H,20,23)
InChIKeyLSNPCMAMQQSKPY-UHFFFAOYSA-N
XLogP1.89
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide (CID 122185600) is 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(CO)c2)nc1C(=O)NC1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is LSNPCMAMQQSKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-16-15(17(23)20-13-6-1-2-7-13)21-14(9-19-16)12-5-3-4-11(8-12)10-22/h3-5,8-9,13,22H,1-2,6-7,10H2,(H2,18,19)(H,20,23).
What are the key properties of 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).