N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide

C17H21N3O2 — CID 91625988

IUPACN-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H21N3O2/c21-16(13-20-11-3-4-12-20)19-14-6-8-15(9-7-14)22-17-5-1-2-10-18-17/h1-5,10-12,14-15H,6-9,13H2,(H,19,21)
InChIKeyVVKMRASFVMTVGZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.39
Rot. Bonds5

About N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide

N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide (PubChem CID 91625988) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide
PubChem CID91625988
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H21N3O2/c21-16(13-20-11-3-4-12-20)19-14-6-8-15(9-7-14)22-17-5-1-2-10-18-17/h1-5,10-12,14-15H,6-9,13H2,(H,19,21)
InChIKeyVVKMRASFVMTVGZ-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide (CID 91625988) is N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NC1CCC(Oc2ccccn2)CC1.
What is the InChIKey of N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide?
The InChIKey is VVKMRASFVMTVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16(13-20-11-3-4-12-20)19-14-6-8-15(9-7-14)22-17-5-1-2-10-18-17/h1-5,10-12,14-15H,6-9,13H2,(H,19,21).
What are the key properties of N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide?
N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yloxycyclohexyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 91625988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).