N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide

C21H16F2N4O3 — CID 86763409

IUPACN-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESCCc1c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)cnc2c1oc(=O)n2C
InChIInChI=1S/C21H16F2N4O3/c1-3-12-13(10-25-19-18(12)30-21(29)27(19)2)16-8-7-11(9-24-16)26-20(28)17-14(22)5-4-6-15(17)23/h4-10H,3H2,1-2H3,(H,26,28)
InChIKeyOWBGNPXSQBCQGH-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.68
Rot. Bonds4

About N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide

N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 86763409) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID86763409
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC NameN-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESCCc1c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)cnc2c1oc(=O)n2C
InChIInChI=1S/C21H16F2N4O3/c1-3-12-13(10-25-19-18(12)30-21(29)27(19)2)16-8-7-11(9-24-16)26-20(28)17-14(22)5-4-6-15(17)23/h4-10H,3H2,1-2H3,(H,26,28)
InChIKeyOWBGNPXSQBCQGH-UHFFFAOYSA-N
XLogP3.68
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
N-[6-(7-cyclopropyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763752
N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 86764080
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
CID 71812186
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
CID 24776094
2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide
CID 87056739
N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 42686730
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 58486951
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 154833789

Frequently Asked Questions

What is the IUPAC name of N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide (CID 86763409) is N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide is CCc1c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)cnc2c1oc(=O)n2C.
What is the InChIKey of N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is OWBGNPXSQBCQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-3-12-13(10-25-19-18(12)30-21(29)27(19)2)16-8-7-11(9-24-16)26-20(28)17-14(22)5-4-6-15(17)23/h4-10H,3H2,1-2H3,(H,26,28).
What are the key properties of N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 410.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).