1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide

C25H20ClFN4O4 — CID 71493259

IUPAC1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)c1
InChIInChI=1S/C25H20ClFN4O4/c1-34-19-5-3-2-4-15(19)13-30-25(33)16-6-9-22(32)31(14-16)17-7-8-20(18(27)12-17)35-21-10-11-29-24(28)23(21)26/h2-12,14H,13H2,1H3,(H2,28,29)(H,30,33)
InChIKeyQZWDNYIQTUUSTD-UHFFFAOYSA-N
MW494.91 g/mol
LogP4.34
Rot. Bonds7

About 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide

1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 71493259) has the molecular formula C25H20ClFN4O4 and a molecular weight of 494.91 g/mol. Its IUPAC name is 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID71493259
Molecular FormulaC25H20ClFN4O4
Molecular Weight494.91 g/mol
Exact Mass494.12
IUPAC Name1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)c1
InChIInChI=1S/C25H20ClFN4O4/c1-34-19-5-3-2-4-15(19)13-30-25(33)16-6-9-22(32)31(14-16)17-7-8-20(18(27)12-17)35-21-10-11-29-24(28)23(21)26/h2-12,14H,13H2,1H3,(H2,28,29)(H,30,33)
InChIKeyQZWDNYIQTUUSTD-UHFFFAOYSA-N
XLogP4.34
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.91
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404788
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[(2-methoxyphenyl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299036
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947
2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086829
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 71493259) is 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)c1.
What is the InChIKey of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is QZWDNYIQTUUSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O4/c1-34-19-5-3-2-4-15(19)13-30-25(33)16-6-9-22(32)31(14-16)17-7-8-20(18(27)12-17)35-21-10-11-29-24(28)23(21)26/h2-12,14H,13H2,1H3,(H2,28,29)(H,30,33).
What are the key properties of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 494.91 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71493259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).