N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C16H21N3O — CID 134792820

IUPACN-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H21N3O/c20-16(18-10-8-12-5-2-1-3-6-12)14-11-19-15-13(14)7-4-9-17-15/h4,7,9,11-12H,1-3,5-6,8,10H2,(H,17,19)(H,18,20)
InChIKeyICCPYBCGESUWDX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds4

About N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 134792820) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID134792820
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H21N3O/c20-16(18-10-8-12-5-2-1-3-6-12)14-11-19-15-13(14)7-4-9-17-15/h4,7,9,11-12H,1-3,5-6,8,10H2,(H,17,19)(H,18,20)
InChIKeyICCPYBCGESUWDX-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 134792820) is N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCCC1CCCCC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ICCPYBCGESUWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(18-10-8-12-5-2-1-3-6-12)14-11-19-15-13(14)7-4-9-17-15/h4,7,9,11-12H,1-3,5-6,8,10H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 134792820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).