1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide

C18H16Cl2N2O2 — CID 71495726

IUPAC1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOc2ncccc21)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-11-3-4-13(14(20)10-11)18(6-7-18)17(23)22-15-5-9-24-16-12(15)2-1-8-21-16/h1-4,8,10,15H,5-7,9H2,(H,22,23)
InChIKeyZUXATJFOHNDEQH-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.06
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide

1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide (PubChem CID 71495726) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide
PubChem CID71495726
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOc2ncccc21)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-11-3-4-13(14(20)10-11)18(6-7-18)17(23)22-15-5-9-24-16-12(15)2-1-8-21-16/h1-4,8,10,15H,5-7,9H2,(H,22,23)
InChIKeyZUXATJFOHNDEQH-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide (CID 71495726) is 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide is O=C(NC1CCOc2ncccc21)C1(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is ZUXATJFOHNDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-11-3-4-13(14(20)10-11)18(6-7-18)17(23)22-15-5-9-24-16-12(15)2-1-8-21-16/h1-4,8,10,15H,5-7,9H2,(H,22,23).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71495726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).