N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C18H20N4 — CID 66888952

IUPACN-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESc1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)c3)c2c1
InChIInChI=1S/C18H20N4/c1-2-5-14(6-3-1)22-17-11-13(8-10-19-17)16-12-21-18-15(16)7-4-9-20-18/h4,7-12,14H,1-3,5-6H2,(H,19,22)(H,20,21)
InChIKeyWKRDKCCCKLPHDU-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.37
Rot. Bonds3

About N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 66888952) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID66888952
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESc1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)c3)c2c1
InChIInChI=1S/C18H20N4/c1-2-5-14(6-3-1)22-17-11-13(8-10-19-17)16-12-21-18-15(16)7-4-9-20-18/h4,7-12,14H,1-3,5-6H2,(H,19,22)(H,20,21)
InChIKeyWKRDKCCCKLPHDU-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 66888952) is N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)c3)c2c1.
What is the InChIKey of N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is WKRDKCCCKLPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-5-14(6-3-1)22-17-11-13(8-10-19-17)16-12-21-18-15(16)7-4-9-20-18/h4,7-12,14H,1-3,5-6H2,(H,19,22)(H,20,21).
What are the key properties of N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 66888952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).