5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide

C13H19ClN4O — CID 107240375

IUPAC5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-9(2)18-5-3-10(4-6-18)17-13(19)11-7-16-12(14)8-15-11/h7-10H,3-6H2,1-2H3,(H,17,19)
InChIKeyJNASZZJXXDVOIG-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.73
Rot. Bonds3

About 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide

5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide (PubChem CID 107240375) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
PubChem CID107240375
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-9(2)18-5-3-10(4-6-18)17-13(19)11-7-16-12(14)8-15-11/h7-10H,3-6H2,1-2H3,(H,17,19)
InChIKeyJNASZZJXXDVOIG-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide (CID 107240375) is 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide is CC(C)N1CCC(NC(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide?
The InChIKey is JNASZZJXXDVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9(2)18-5-3-10(4-6-18)17-13(19)11-7-16-12(14)8-15-11/h7-10H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide?
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107240375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).