N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide

C17H20ClN3O3 — CID 128638791

IUPACN-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
SMILESCC(C)Oc1ncc(Cl)cc1NC(=O)N1CC2C3C=CC(O3)C2C1
InChIInChI=1S/C17H20ClN3O3/c1-9(2)23-16-13(5-10(18)6-19-16)20-17(22)21-7-11-12(8-21)15-4-3-14(11)24-15/h3-6,9,11-12,14-15H,7-8H2,1-2H3,(H,20,22)
InChIKeyOWQZYYDKDITGTP-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.94
Rot. Bonds3

About N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide

N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide (PubChem CID 128638791) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
PubChem CID128638791
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
SMILESCC(C)Oc1ncc(Cl)cc1NC(=O)N1CC2C3C=CC(O3)C2C1
InChIInChI=1S/C17H20ClN3O3/c1-9(2)23-16-13(5-10(18)6-19-16)20-17(22)21-7-11-12(8-21)15-4-3-14(11)24-15/h3-6,9,11-12,14-15H,7-8H2,1-2H3,(H,20,22)
InChIKeyOWQZYYDKDITGTP-UHFFFAOYSA-N
XLogP2.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 136546888
3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094832
2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682712
5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457902
4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 126794365
5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457909
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248522
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 71927930
N-[(4-tert-butyl-3-pyridinyl)methyl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
CID 128735144
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide (CID 128638791) is N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide is CC(C)Oc1ncc(Cl)cc1NC(=O)N1CC2C3C=CC(O3)C2C1.
What is the InChIKey of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide?
The InChIKey is OWQZYYDKDITGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-9(2)23-16-13(5-10(18)6-19-16)20-17(22)21-7-11-12(8-21)15-4-3-14(11)24-15/h3-6,9,11-12,14-15H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide?
N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide is sourced from PubChem (CID 128638791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).