6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C20H18N4O2 — CID 22137717

IUPAC6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCN(C)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cn1
InChIInChI=1S/C20H18N4O2/c1-23(2)17-10-9-14(12-21-17)15-11-16-18(20(25)24(15)3)19(22-26-16)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyXPDMIYYVEIYHEU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.32
Rot. Bonds3

About 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137717) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137717
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCN(C)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cn1
InChIInChI=1S/C20H18N4O2/c1-23(2)17-10-9-14(12-21-17)15-11-16-18(20(25)24(15)3)19(22-26-16)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyXPDMIYYVEIYHEU-UHFFFAOYSA-N
XLogP3.32
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 4250909
5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 142196312
methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate
CID 24983127
6-[4-(2-hydroxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015574
3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 166133367
6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015564
9-[6-(dimethylamino)-3-pyridinyl]-5,6-dimethyl-6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-one
CID 129117089
5-(furan-2-yl)-N,N-dimethylpyridin-2-amine
CID 91664813
N,N-dimethyl-5-[1-phenyl-5-[(2,4,5-trifluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 167754824
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
3-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-3-oxopropanoic acid
CID 22317119
5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one
CID 22015579

Frequently Asked Questions

What is the IUPAC name of 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137717) is 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is CN(C)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cn1.
What is the InChIKey of 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is XPDMIYYVEIYHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23(2)17-10-9-14(12-21-17)15-11-16-18(20(25)24(15)3)19(22-26-16)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).