3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide

C11H16ClN5O — CID 102060931

IUPAC3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N
InChIInChI=1S/C11H16ClN5O/c12-8-11(17-5-3-1-2-4-6-17)16-9(13)7(15-8)10(14)18/h1-6H2,(H2,13,16)(H2,14,18)
InChIKeyMAROPTPIOCTJRH-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.19
Rot. Bonds2

About 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide

3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide (PubChem CID 102060931) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide
PubChem CID102060931
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N
InChIInChI=1S/C11H16ClN5O/c12-8-11(17-5-3-1-2-4-6-17)16-9(13)7(15-8)10(14)18/h1-6H2,(H2,13,16)(H2,14,18)
InChIKeyMAROPTPIOCTJRH-UHFFFAOYSA-N
XLogP1.19
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide (CID 102060931) is 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide is NC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N.
What is the InChIKey of 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide?
The InChIKey is MAROPTPIOCTJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c12-8-11(17-5-3-1-2-4-6-17)16-9(13)7(15-8)10(14)18/h1-6H2,(H2,13,16)(H2,14,18).
What are the key properties of 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide?
3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide has a molecular weight of 269.74 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 102060931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).