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

C16H21N3O2 — CID 75405120

IUPACN-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCN(C(=O)c1c[nH]c2ncccc12)C1CCCC1
InChIInChI=1S/C16H21N3O2/c1-21-10-9-19(12-5-2-3-6-12)16(20)14-11-18-15-13(14)7-4-8-17-15/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,17,18)
InChIKeyMNCXEZUBEPJXHA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds5

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

N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 75405120) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID75405120
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCN(C(=O)c1c[nH]c2ncccc12)C1CCCC1
InChIInChI=1S/C16H21N3O2/c1-21-10-9-19(12-5-2-3-6-12)16(20)14-11-18-15-13(14)7-4-8-17-15/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,17,18)
InChIKeyMNCXEZUBEPJXHA-UHFFFAOYSA-N
XLogP2.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 75405120) is N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COCCN(C(=O)c1c[nH]c2ncccc12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MNCXEZUBEPJXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-10-9-19(12-5-2-3-6-12)16(20)14-11-18-15-13(14)7-4-8-17-15/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 75405120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).