6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

C22H23N3O2 — CID 11417118

IUPAC6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCC3NC2CC3C=CC2C3)nc1
InChIInChI=1S/C22H23N3O2/c23-22(26)16-4-8-21(24-12-16)27-17-5-6-18-14(11-17)3-7-19(18)25-20-10-13-1-2-15(20)9-13/h1-2,4-6,8,11-13,15,19-20,25H,3,7,9-10H2,(H2,23,26)
InChIKeyJYDYOMSDURJYHR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.51
Rot. Bonds5

About 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 11417118) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
PubChem CID11417118
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCC3NC2CC3C=CC2C3)nc1
InChIInChI=1S/C22H23N3O2/c23-22(26)16-4-8-21(24-12-16)27-17-5-6-18-14(11-17)3-7-19(18)25-20-10-13-1-2-15(20)9-13/h1-2,4-6,8,11-13,15,19-20,25H,3,7,9-10H2,(H2,23,26)
InChIKeyJYDYOMSDURJYHR-UHFFFAOYSA-N
XLogP3.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
6-[[1-[(2,3-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 11188152
6-[[1-(2-methylbutylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673614
6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673474
6-[[1-[cyclopropyl(methyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673731
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673417
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 11211889
6-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)oxy]pyridine-3-carboxamide
CID 59750644
propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 11315060

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (CID 11417118) is 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CCC3NC2CC3C=CC2C3)nc1.
What is the InChIKey of 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is JYDYOMSDURJYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-22(26)16-4-8-21(24-12-16)27-17-5-6-18-14(11-17)3-7-19(18)25-20-10-13-1-2-15(20)9-13/h1-2,4-6,8,11-13,15,19-20,25H,3,7,9-10H2,(H2,23,26).
What are the key properties of 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11417118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).