2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile

C14H12N4 — CID 129021795

IUPAC2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CC3)ccn2)c1
InChIInChI=1S/C14H12N4/c15-9-10-3-5-16-13(7-10)18-14-8-12(4-6-17-14)11-1-2-11/h3-8,11H,1-2H2,(H,16,17,18)
InChIKeyWGRQJLYBTVKHTI-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.97
Rot. Bonds3

About 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile

2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile (PubChem CID 129021795) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
PubChem CID129021795
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CC3)ccn2)c1
InChIInChI=1S/C14H12N4/c15-9-10-3-5-16-13(7-10)18-14-8-12(4-6-17-14)11-1-2-11/h3-8,11H,1-2H2,(H,16,17,18)
InChIKeyWGRQJLYBTVKHTI-UHFFFAOYSA-N
XLogP2.97
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile (CID 129021795) is 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CC3)ccn2)c1.
What is the InChIKey of 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile?
The InChIKey is WGRQJLYBTVKHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-9-10-3-5-16-13(7-10)18-14-8-12(4-6-17-14)11-1-2-11/h3-8,11H,1-2H2,(H,16,17,18).
What are the key properties of 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile?
2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 129021795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).