N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

C18H15ClF2N2O3 — CID 89228784

IUPACN-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(Cl)c1C
InChIInChI=1S/C18H15ClF2N2O3/c1-9-7-14(22-15(19)10(9)2)23-16(24)17(5-6-17)11-3-4-12-13(8-11)26-18(20,21)25-12/h3-4,7-8H,5-6H2,1-2H3,(H,22,23,24)
InChIKeyOHPHQZAJWOPIJE-UHFFFAOYSA-N
MW380.78 g/mol
LogP4.34
Rot. Bonds3

About N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 89228784) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
PubChem CID89228784
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC NameN-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(Cl)c1C
InChIInChI=1S/C18H15ClF2N2O3/c1-9-7-14(22-15(19)10(9)2)23-16(24)17(5-6-17)11-3-4-12-13(8-11)26-18(20,21)25-12/h3-4,7-8H,5-6H2,1-2H3,(H,22,23,24)
InChIKeyOHPHQZAJWOPIJE-UHFFFAOYSA-N
XLogP4.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 89228784) is N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(Cl)c1C.
What is the InChIKey of N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is OHPHQZAJWOPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c1-9-7-14(22-15(19)10(9)2)23-16(24)17(5-6-17)11-3-4-12-13(8-11)26-18(20,21)25-12/h3-4,7-8H,5-6H2,1-2H3,(H,22,23,24).
What are the key properties of N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 380.78 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 89228784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).