5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile

C15H13ClN4 — CID 162523593

IUPAC5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCc1ncccc1Nc1nc(C2CC2)c(Cl)cc1C#N
InChIInChI=1S/C15H13ClN4/c1-9-13(3-2-6-18-9)19-15-11(8-17)7-12(16)14(20-15)10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,19,20)
InChIKeyITFXPYYPEHENHV-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile

5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 162523593) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID162523593
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCc1ncccc1Nc1nc(C2CC2)c(Cl)cc1C#N
InChIInChI=1S/C15H13ClN4/c1-9-13(3-2-6-18-9)19-15-11(8-17)7-12(16)14(20-15)10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,19,20)
InChIKeyITFXPYYPEHENHV-UHFFFAOYSA-N
XLogP3.93
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile (CID 162523593) is 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile is Cc1ncccc1Nc1nc(C2CC2)c(Cl)cc1C#N.
What is the InChIKey of 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is ITFXPYYPEHENHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-9-13(3-2-6-18-9)19-15-11(8-17)7-12(16)14(20-15)10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,19,20).
What are the key properties of 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile?
5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 284.75 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-2-[(2-methyl-3-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 162523593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).