3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one

C23H18N2O4 — CID 139885678

IUPAC3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one
SMILESCNc1ncc(C(=O)c2coc3cc(Oc4ccccc4)ccc3c2=O)cc1C
InChIInChI=1S/C23H18N2O4/c1-14-10-15(12-25-23(14)24-2)21(26)19-13-28-20-11-17(8-9-18(20)22(19)27)29-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)
InChIKeyBFHWGIACUBATRQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.56
Rot. Bonds5

About 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one

3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one (PubChem CID 139885678) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one.

Molecular Properties

Compound Name3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one
PubChem CID139885678
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one
SMILESCNc1ncc(C(=O)c2coc3cc(Oc4ccccc4)ccc3c2=O)cc1C
InChIInChI=1S/C23H18N2O4/c1-14-10-15(12-25-23(14)24-2)21(26)19-13-28-20-11-17(8-9-18(20)22(19)27)29-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)
InChIKeyBFHWGIACUBATRQ-UHFFFAOYSA-N
XLogP4.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
CID 139885740
7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride
CID 139885751
3-(cyclopropanecarbonyl)-7-phenoxychromen-4-one
CID 139885698
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate
CID 139885692
3-benzoyl-6-methoxychromen-4-one
CID 747889
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
[4-oxo-3-(4-phenylphenoxy)chromen-7-yl] pyridine-3-carboxylate
CID 2245682
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one?
The IUPAC name of 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one (CID 139885678) is 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one.
What is the SMILES notation for 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one?
The canonical SMILES for 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one is CNc1ncc(C(=O)c2coc3cc(Oc4ccccc4)ccc3c2=O)cc1C.
What is the InChIKey of 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one?
The InChIKey is BFHWGIACUBATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-10-15(12-25-23(14)24-2)21(26)19-13-28-20-11-17(8-9-18(20)22(19)27)29-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25).
What are the key properties of 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one?
3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one has a molecular weight of 386.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one is sourced from PubChem (CID 139885678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).