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

C24H25ClFN5O2 — CID 164546092

IUPAC5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
InChIInChI=1S/C24H25ClFN5O2/c1-31(2)8-3-6-29-24(32)16-10-15(13-27-14-16)18-12-21(19-11-17(25)4-5-20(19)26)30-23-22(18)33-9-7-28-23/h4-5,10-14H,3,6-9H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyYQZRHJMRPRAYSD-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.09
Rot. Bonds7

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

5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 164546092) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 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-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID164546092
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC Name5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
InChIInChI=1S/C24H25ClFN5O2/c1-31(2)8-3-6-29-24(32)16-10-15(13-27-14-16)18-12-21(19-11-17(25)4-5-20(19)26)30-23-22(18)33-9-7-28-23/h4-5,10-14H,3,6-9H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyYQZRHJMRPRAYSD-UHFFFAOYSA-N
XLogP4.09
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide
CID 46919335
2-fluoro-9-oxo-N-(2-{2H,3H,4H-pyrido[3,2-b][1,4]oxazin-7-yl}propan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748528
6-{[(3-chlorophenyl)methyl]amino}-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 25218736
5-chloro-6-(4-(1-(4-fluorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
CID 11526863
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 21110879
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pyridine-3-carboxamide
CID 66550334
2-((3-fluorophenoxy)methyl)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008189
3-chloro-N-[6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936691
3-chloro-N-(6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936726
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
3-chloro-N-(5-fluoro-6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936909

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-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 164546092) is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)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-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is YQZRHJMRPRAYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-31(2)8-3-6-29-24(32)16-10-15(13-27-14-16)18-12-21(19-11-17(25)4-5-20(19)26)30-23-22(18)33-9-7-28-23/h4-5,10-14H,3,6-9H2,1-2H3,(H,28,30)(H,29,32).
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-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 469.95 g/mol, XLogP of 4.09, 7 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-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 164546092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).