3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile

C15H16ClN5 — CID 133350977

IUPAC3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2cn3c(n2)CCCC3)ccc1Cl
InChIInChI=1S/C15H16ClN5/c16-12-4-5-14(20-13(12)9-17)18-7-6-11-10-21-8-2-1-3-15(21)19-11/h4-5,10H,1-3,6-8H2,(H,18,20)
InChIKeyJPRADZVQFYGFRW-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.79
Rot. Bonds4

About 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile

3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133350977) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133350977
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2cn3c(n2)CCCC3)ccc1Cl
InChIInChI=1S/C15H16ClN5/c16-12-4-5-14(20-13(12)9-17)18-7-6-11-10-21-8-2-1-3-15(21)19-11/h4-5,10H,1-3,6-8H2,(H,18,20)
InChIKeyJPRADZVQFYGFRW-UHFFFAOYSA-N
XLogP2.79
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile (CID 133350977) is 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1nc(NCCc2cn3c(n2)CCCC3)ccc1Cl.
What is the InChIKey of 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is JPRADZVQFYGFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c16-12-4-5-14(20-13(12)9-17)18-7-6-11-10-21-8-2-1-3-15(21)19-11/h4-5,10H,1-3,6-8H2,(H,18,20).
What are the key properties of 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile?
3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 301.78 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133350977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).