4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile

C12H13ClN4O — CID 170037179

IUPAC4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(Cl)c1C(=O)N1CCNCC1
InChIInChI=1S/C12H13ClN4O/c1-8-11(10(13)6-9(7-14)16-8)12(18)17-4-2-15-3-5-17/h6,15H,2-5H2,1H3
InChIKeyMXHCTMNCSOXVFH-UHFFFAOYSA-N
MW264.72 g/mol
LogP0.96
Rot. Bonds1

About 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile

4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile (PubChem CID 170037179) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile
PubChem CID170037179
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(Cl)c1C(=O)N1CCNCC1
InChIInChI=1S/C12H13ClN4O/c1-8-11(10(13)6-9(7-14)16-8)12(18)17-4-2-15-3-5-17/h6,15H,2-5H2,1H3
InChIKeyMXHCTMNCSOXVFH-UHFFFAOYSA-N
XLogP0.96
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile?
The IUPAC name of 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile (CID 170037179) is 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile is Cc1nc(C#N)cc(Cl)c1C(=O)N1CCNCC1.
What is the InChIKey of 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile?
The InChIKey is MXHCTMNCSOXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-11(10(13)6-9(7-14)16-8)12(18)17-4-2-15-3-5-17/h6,15H,2-5H2,1H3.
What are the key properties of 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile?
4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile has a molecular weight of 264.72 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-(piperazine-1-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 170037179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).