N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide

C17H17ClFN3O2 — CID 113019012

IUPACN-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1)C1CCOCC1
InChIInChI=1S/C17H17ClFN3O2/c18-14-9-12(1-3-15(14)19)21-16-4-2-13(10-20-16)22-17(23)11-5-7-24-8-6-11/h1-4,9-11H,5-8H2,(H,20,21)(H,22,23)
InChIKeySWGUKLHRTXMJOQ-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.98
Rot. Bonds4

About N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide

N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113019012) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
PubChem CID113019012
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1)C1CCOCC1
InChIInChI=1S/C17H17ClFN3O2/c18-14-9-12(1-3-15(14)19)21-16-4-2-13(10-20-16)22-17(23)11-5-7-24-8-6-11/h1-4,9-11H,5-8H2,(H,20,21)(H,22,23)
InChIKeySWGUKLHRTXMJOQ-UHFFFAOYSA-N
XLogP3.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
methyl 3-[[5-(oxane-4-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113020710
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113033852

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide (CID 113019012) is N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1)C1CCOCC1.
What is the InChIKey of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is SWGUKLHRTXMJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-14-9-12(1-3-15(14)19)21-16-4-2-13(10-20-16)22-17(23)11-5-7-24-8-6-11/h1-4,9-11H,5-8H2,(H,20,21)(H,22,23).
What are the key properties of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide?
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 349.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113019012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).