6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide

C18H16BrN3O2 — CID 87017609

IUPAC6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCCC1
InChIInChI=1S/C18H16BrN3O2/c19-14-4-6-15(7-5-14)24-16-8-3-13(11-21-16)17(23)22-18(12-20)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,22,23)
InChIKeyGFQVSLZACSECKW-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.20
Rot. Bonds4

About 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide (PubChem CID 87017609) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
PubChem CID87017609
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCCC1
InChIInChI=1S/C18H16BrN3O2/c19-14-4-6-15(7-5-14)24-16-8-3-13(11-21-16)17(23)22-18(12-20)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,22,23)
InChIKeyGFQVSLZACSECKW-UHFFFAOYSA-N
XLogP4.20
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 99586512
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
CID 49393966
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-[(1-hydroxycyclopentyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111333099
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
4-bromo-N-[3-[(1-cyanocyclohexyl)amino]-3-oxopropyl]benzamide
CID 99167829

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide (CID 87017609) is 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide is N#CC1(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCCC1.
What is the InChIKey of 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide?
The InChIKey is GFQVSLZACSECKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-14-4-6-15(7-5-14)24-16-8-3-13(11-21-16)17(23)22-18(12-20)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,22,23).
What are the key properties of 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 87017609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).