N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide

C25H20N4O3 — CID 58024428

IUPACN-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide
SMILESCn1c(=O)n(C)c2c(Oc3cc(NC(=O)c4ccccc4)cc4ccccc34)ccnc21
InChIInChI=1S/C25H20N4O3/c1-28-22-20(12-13-26-23(22)29(2)25(28)31)32-21-15-18(14-17-10-6-7-11-19(17)21)27-24(30)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,27,30)
InChIKeyBZUDLMMCWULJFL-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.47
Rot. Bonds4

About N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide

N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide (PubChem CID 58024428) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide
PubChem CID58024428
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide
SMILESCn1c(=O)n(C)c2c(Oc3cc(NC(=O)c4ccccc4)cc4ccccc34)ccnc21
InChIInChI=1S/C25H20N4O3/c1-28-22-20(12-13-26-23(22)29(2)25(28)31)32-21-15-18(14-17-10-6-7-11-19(17)21)27-24(30)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,27,30)
InChIKeyBZUDLMMCWULJFL-UHFFFAOYSA-N
XLogP4.47
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24863189
N-{5-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24878671
Risimtinib
CID 145351764
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
N-(5-(6-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)pyrazin-2-yloxy)naphthalen-1-yl)acetamide
CID 24878672
Pyridoimidazolone, 28b
CID 42625245
3-tert-butyl-N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide
CID 44133721
N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(trifluoro-methoxy)benzamide
CID 44133722
3-tert-butyl-N-(3-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy) phenyl)benzamide
CID 44133905
3-tert-butyl-N-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide
CID 44134090
1-(4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl-oxy)naphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 44185067
N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351737

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide?
The IUPAC name of N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide (CID 58024428) is N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide.
What is the SMILES notation for N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide?
The canonical SMILES for N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide is Cn1c(=O)n(C)c2c(Oc3cc(NC(=O)c4ccccc4)cc4ccccc34)ccnc21.
What is the InChIKey of N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide?
The InChIKey is BZUDLMMCWULJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-28-22-20(12-13-26-23(22)29(2)25(28)31)32-21-15-18(14-17-10-6-7-11-19(17)21)27-24(30)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,27,30).
What are the key properties of N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide?
N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-2-yl]benzamide is sourced from PubChem (CID 58024428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).