N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide

C22H25N3O — CID 166062931

IUPACN-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)C1CCCCC1
InChIInChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-11-9-16-5-4-8-18(13-16)20-14-19-10-12-23-21(19)25-15-20/h4-5,8,10,12-15,17H,1-3,6-7,9,11H2,(H,23,25)(H,24,26)
InChIKeyHQFREDDZGXQLOK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.47
Rot. Bonds5

About N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide

N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide (PubChem CID 166062931) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide
PubChem CID166062931
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)C1CCCCC1
InChIInChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-11-9-16-5-4-8-18(13-16)20-14-19-10-12-23-21(19)25-15-20/h4-5,8,10,12-15,17H,1-3,6-7,9,11H2,(H,23,25)(H,24,26)
InChIKeyHQFREDDZGXQLOK-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide (CID 166062931) is N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide is O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)C1CCCCC1.
What is the InChIKey of N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide?
The InChIKey is HQFREDDZGXQLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-11-9-16-5-4-8-18(13-16)20-14-19-10-12-23-21(19)25-15-20/h4-5,8,10,12-15,17H,1-3,6-7,9,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide?
N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 166062931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).