3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide

C15H17ClN6O — CID 11290518

IUPAC3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESNc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1
InChIInChI=1S/C15H17ClN6O/c16-12-14(22-8-4-1-5-9-22)21-13(17)11(20-12)15(23)19-10-6-2-3-7-18-10/h2-3,6-7H,1,4-5,8-9H2,(H2,17,21)(H,18,19,23)
InChIKeyQHWIBXOXEAMLOD-UHFFFAOYSA-N
MW332.80 g/mol
LogP2.35
Rot. Bonds3

About 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide

3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide (PubChem CID 11290518) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide
PubChem CID11290518
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESNc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1
InChIInChI=1S/C15H17ClN6O/c16-12-14(22-8-4-1-5-9-22)21-13(17)11(20-12)15(23)19-10-6-2-3-7-18-10/h2-3,6-7H,1,4-5,8-9H2,(H2,17,21)(H,18,19,23)
InChIKeyQHWIBXOXEAMLOD-UHFFFAOYSA-N
XLogP2.35
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide (CID 11290518) is 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide is Nc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1.
What is the InChIKey of 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide?
The InChIKey is QHWIBXOXEAMLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c16-12-14(22-8-4-1-5-9-22)21-13(17)11(20-12)15(23)19-10-6-2-3-7-18-10/h2-3,6-7H,1,4-5,8-9H2,(H2,17,21)(H,18,19,23).
What are the key properties of 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide?
3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide has a molecular weight of 332.80 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-piperidin-1-yl-N-pyridin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 11290518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).