N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide

C23H27N3O2 — CID 142405243

IUPACN-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
SMILESCN(C(=O)CCc1ccc(Oc2ccnc3[nH]ccc23)cc1)C1CCCCC1
InChIInChI=1S/C23H27N3O2/c1-26(18-5-3-2-4-6-18)22(27)12-9-17-7-10-19(11-8-17)28-21-14-16-25-23-20(21)13-15-24-23/h7-8,10-11,13-16,18H,2-6,9,12H2,1H3,(H,24,25)
InChIKeyCFGFNWFMKHIBHM-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.08
Rot. Bonds6

About N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide

N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide (PubChem CID 142405243) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
PubChem CID142405243
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
SMILESCN(C(=O)CCc1ccc(Oc2ccnc3[nH]ccc23)cc1)C1CCCCC1
InChIInChI=1S/C23H27N3O2/c1-26(18-5-3-2-4-6-18)22(27)12-9-17-7-10-19(11-8-17)28-21-14-16-25-23-20(21)13-15-24-23/h7-8,10-11,13-16,18H,2-6,9,12H2,1H3,(H,24,25)
InChIKeyCFGFNWFMKHIBHM-UHFFFAOYSA-N
XLogP5.08
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide (CID 142405243) is N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide is CN(C(=O)CCc1ccc(Oc2ccnc3[nH]ccc23)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
The InChIKey is CFGFNWFMKHIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26(18-5-3-2-4-6-18)22(27)12-9-17-7-10-19(11-8-17)28-21-14-16-25-23-20(21)13-15-24-23/h7-8,10-11,13-16,18H,2-6,9,12H2,1H3,(H,24,25).
What are the key properties of N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide?
N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide is sourced from PubChem (CID 142405243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).