6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide

C14H23N5O — CID 133358716

IUPAC6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide
SMILESCC1CCN(CCCNc2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C14H23N5O/c1-11-3-7-19(8-4-11)6-2-5-17-13-10-16-9-12(18-13)14(15)20/h9-11H,2-8H2,1H3,(H2,15,20)(H,17,18)
InChIKeyNOPDGBRXWWYOFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds6

About 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide

6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide (PubChem CID 133358716) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide
PubChem CID133358716
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide
SMILESCC1CCN(CCCNc2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C14H23N5O/c1-11-3-7-19(8-4-11)6-2-5-17-13-10-16-9-12(18-13)14(15)20/h9-11H,2-8H2,1H3,(H2,15,20)(H,17,18)
InChIKeyNOPDGBRXWWYOFX-UHFFFAOYSA-N
XLogP1.11
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide (CID 133358716) is 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide is CC1CCN(CCCNc2cncc(C(N)=O)n2)CC1.
What is the InChIKey of 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide?
The InChIKey is NOPDGBRXWWYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-3-7-19(8-4-11)6-2-5-17-13-10-16-9-12(18-13)14(15)20/h9-11H,2-8H2,1H3,(H2,15,20)(H,17,18).
What are the key properties of 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide?
6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133358716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).