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

C20H17ClFN5O2 — CID 162441520

IUPAC4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)ccn1
InChIInChI=1S/C20H17ClFN5O2/c1-23-20(28)17-9-12(4-5-24-17)26-16-10-15(13-8-11(21)2-3-14(13)22)27-19-18(16)29-7-6-25-19/h2-5,8-10H,6-7H2,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyVKIUGAYQPFJMLS-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.84
Rot. Bonds4

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

4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 162441520) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID162441520
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC Name4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)ccn1
InChIInChI=1S/C20H17ClFN5O2/c1-23-20(28)17-9-12(4-5-24-17)26-16-10-15(13-8-11(21)2-3-14(13)22)27-19-18(16)29-7-6-25-19/h2-5,8-10H,6-7H2,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyVKIUGAYQPFJMLS-UHFFFAOYSA-N
XLogP3.84
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide (CID 162441520) is 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)ccn1.
What is the InChIKey of 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is VKIUGAYQPFJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c1-23-20(28)17-9-12(4-5-24-17)26-16-10-15(13-8-11(21)2-3-14(13)22)27-19-18(16)29-7-6-25-19/h2-5,8-10H,6-7H2,1H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide?
4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162441520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).