5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C25H25ClFN5O2 — CID 164546113

IUPAC5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
InChIInChI=1S/C25H25ClFN5O2/c26-18-3-4-21(27)20(12-18)22-13-19(23-24(31-22)29-6-10-34-23)16-11-17(15-28-14-16)25(33)30-5-9-32-7-1-2-8-32/h3-4,11-15H,1-2,5-10H2,(H,29,31)(H,30,33)
InChIKeyIVBSTTONEWNWSY-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.23
Rot. Bonds6

About 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 164546113) has the molecular formula C25H25ClFN5O2 and a molecular weight of 481.96 g/mol. Its IUPAC name is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID164546113
Molecular FormulaC25H25ClFN5O2
Molecular Weight481.96 g/mol
Exact Mass481.17
IUPAC Name5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
InChIInChI=1S/C25H25ClFN5O2/c26-18-3-4-21(27)20(12-18)22-13-19(23-24(31-22)29-6-10-34-23)16-11-17(15-28-14-16)25(33)30-5-9-32-7-1-2-8-32/h3-4,11-15H,1-2,5-10H2,(H,29,31)(H,30,33)
InChIKeyIVBSTTONEWNWSY-UHFFFAOYSA-N
XLogP4.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
5-[2-[4-(benzimidazol-1-yl)butylcarbamoyl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 162677172
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877285

Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 164546113) is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCCC1)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1.
What is the InChIKey of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is IVBSTTONEWNWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O2/c26-18-3-4-21(27)20(12-18)22-13-19(23-24(31-22)29-6-10-34-23)16-11-17(15-28-14-16)25(33)30-5-9-32-7-1-2-8-32/h3-4,11-15H,1-2,5-10H2,(H,29,31)(H,30,33).
What are the key properties of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 481.96 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 164546113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).