1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide

C13H17N5O — CID 114770105

IUPAC1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1cc(C#N)cc(C)n1
InChIInChI=1S/C13H17N5O/c1-9-5-10(7-14)6-12(17-9)18-4-3-16-8-11(18)13(19)15-2/h5-6,11,16H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyNXIBQAKQAFJABF-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.21
Rot. Bonds2

About 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide

1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide (PubChem CID 114770105) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
PubChem CID114770105
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1cc(C#N)cc(C)n1
InChIInChI=1S/C13H17N5O/c1-9-5-10(7-14)6-12(17-9)18-4-3-16-8-11(18)13(19)15-2/h5-6,11,16H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyNXIBQAKQAFJABF-UHFFFAOYSA-N
XLogP-0.21
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide (CID 114770105) is 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1c1cc(C#N)cc(C)n1.
What is the InChIKey of 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is NXIBQAKQAFJABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-5-10(7-14)6-12(17-9)18-4-3-16-8-11(18)13(19)15-2/h5-6,11,16H,3-4,8H2,1-2H3,(H,15,19).
What are the key properties of 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide?
1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 114770105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).