N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H12ClF3N2O4 — CID 39821310

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C16H12ClF3N2O4/c17-10-6-12-13(25-5-4-24-12)7-11(10)22-14(23)9-2-1-3-21-15(9)26-8-16(18,19)20/h1-3,6-7H,4-5,8H2,(H,22,23)
InChIKeyNLPWQFCFFJYYAQ-UHFFFAOYSA-N
MW388.73 g/mol
LogP3.70
Rot. Bonds4

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 39821310) has the molecular formula C16H12ClF3N2O4 and a molecular weight of 388.73 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID39821310
Molecular FormulaC16H12ClF3N2O4
Molecular Weight388.73 g/mol
Exact Mass388.04
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C16H12ClF3N2O4/c17-10-6-12-13(25-5-4-24-12)7-11(10)22-14(23)9-2-1-3-21-15(9)26-8-16(18,19)20/h1-3,6-7H,4-5,8H2,(H,22,23)
InChIKeyNLPWQFCFFJYYAQ-UHFFFAOYSA-N
XLogP3.70
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 47024237
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)quinoline-5-carboxamide
CID 34278013
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide
CID 24556582
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31884754
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39821356
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 120881971
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819306

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 39821310) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is NLPWQFCFFJYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O4/c17-10-6-12-13(25-5-4-24-12)7-11(10)22-14(23)9-2-1-3-21-15(9)26-8-16(18,19)20/h1-3,6-7H,4-5,8H2,(H,22,23).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 388.73 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 39821310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).