6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

C12H15N5O — CID 166021778

IUPAC6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCNCC2)c(C#N)n1
InChIInChI=1S/C12H15N5O/c1-14-12(18)9-2-3-11(10(8-13)16-9)17-6-4-15-5-7-17/h2-3,15H,4-7H2,1H3,(H,14,18)
InChIKeyCNRHQDLEMWTHDB-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.28
Rot. Bonds2

About 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 166021778) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID166021778
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCNCC2)c(C#N)n1
InChIInChI=1S/C12H15N5O/c1-14-12(18)9-2-3-11(10(8-13)16-9)17-6-4-15-5-7-17/h2-3,15H,4-7H2,1H3,(H,14,18)
InChIKeyCNRHQDLEMWTHDB-UHFFFAOYSA-N
XLogP-0.28
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 166021778) is 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCNCC2)c(C#N)n1.
What is the InChIKey of 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is CNRHQDLEMWTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-14-12(18)9-2-3-11(10(8-13)16-9)17-6-4-15-5-7-17/h2-3,15H,4-7H2,1H3,(H,14,18).
What are the key properties of 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 166021778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).