N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C19H22N4 — CID 66888175

IUPACN-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1
InChIInChI=1S/C19H22N4/c1-13-10-14(17-12-21-19-16(17)8-5-9-20-19)11-18(22-13)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyGINFHXYEUHACPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.68
Rot. Bonds3

About N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 66888175) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID66888175
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1
InChIInChI=1S/C19H22N4/c1-13-10-14(17-12-21-19-16(17)8-5-9-20-19)11-18(22-13)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyGINFHXYEUHACPX-UHFFFAOYSA-N
XLogP4.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 66888175) is N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Cc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is GINFHXYEUHACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-10-14(17-12-21-19-16(17)8-5-9-20-19)11-18(22-13)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 306.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 66888175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).