5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide

C18H12Cl2N2O4 — CID 45493609

IUPAC5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C18H12Cl2N2O4/c19-13-4-3-11(6-14(13)20)9-25-17-10-26-16(7-15(17)23)18(24)22-12-2-1-5-21-8-12/h1-8,10H,9H2,(H,22,24)
InChIKeyRBXZYLPJLPXRQX-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.17
Rot. Bonds5

About 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide

5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide (PubChem CID 45493609) has the molecular formula C18H12Cl2N2O4 and a molecular weight of 391.21 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
PubChem CID45493609
Molecular FormulaC18H12Cl2N2O4
Molecular Weight391.21 g/mol
Exact Mass390.02
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C18H12Cl2N2O4/c19-13-4-3-11(6-14(13)20)9-25-17-10-26-16(7-15(17)23)18(24)22-12-2-1-5-21-8-12/h1-8,10H,9H2,(H,22,24)
InChIKeyRBXZYLPJLPXRQX-UHFFFAOYSA-N
XLogP4.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[[5-[(3,4-dichlorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]propanoate
CID 124661591
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
CID 86206858
3-phenylmethoxy-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 90574213
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide (CID 45493609) is 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide is O=C(Nc1cccnc1)c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide?
The InChIKey is RBXZYLPJLPXRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O4/c19-13-4-3-11(6-14(13)20)9-25-17-10-26-16(7-15(17)23)18(24)22-12-2-1-5-21-8-12/h1-8,10H,9H2,(H,22,24).
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide?
5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide has a molecular weight of 391.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide is sourced from PubChem (CID 45493609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).