6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine

C18H21ClN4 — CID 155796117

IUPAC6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine
SMILESClc1cnc2c(c1)C(c1cccc(NC3CCCCC3)n1)CN2
InChIInChI=1S/C18H21ClN4/c19-12-9-14-15(11-21-18(14)20-10-12)16-7-4-8-17(23-16)22-13-5-2-1-3-6-13/h4,7-10,13,15H,1-3,5-6,11H2,(H,20,21)(H,22,23)
InChIKeyPKOQAYFORGGFJJ-UHFFFAOYSA-N
MW328.85 g/mol
LogP4.43
Rot. Bonds3

About 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine

6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine (PubChem CID 155796117) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine
PubChem CID155796117
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC Name6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine
SMILESClc1cnc2c(c1)C(c1cccc(NC3CCCCC3)n1)CN2
InChIInChI=1S/C18H21ClN4/c19-12-9-14-15(11-21-18(14)20-10-12)16-7-4-8-17(23-16)22-13-5-2-1-3-6-13/h4,7-10,13,15H,1-3,5-6,11H2,(H,20,21)(H,22,23)
InChIKeyPKOQAYFORGGFJJ-UHFFFAOYSA-N
XLogP4.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The IUPAC name of 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine (CID 155796117) is 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine is Clc1cnc2c(c1)C(c1cccc(NC3CCCCC3)n1)CN2.
What is the InChIKey of 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The InChIKey is PKOQAYFORGGFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c19-12-9-14-15(11-21-18(14)20-10-12)16-7-4-8-17(23-16)22-13-5-2-1-3-6-13/h4,7-10,13,15H,1-3,5-6,11H2,(H,20,21)(H,22,23).
What are the key properties of 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine?
6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine has a molecular weight of 328.85 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 155796117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).