1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide

C25H21ClFN5O3 — CID 118683387

IUPAC1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide
SMILESCN(C)C(=O)c1cnc(Nc2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C25H21ClFN5O3/c1-31(2)23(33)20-14-28-25(32(24(20)34)15-16-6-8-17(26)9-7-16)29-18-10-12-19(13-11-18)35-22-5-3-4-21(27)30-22/h3-14H,15H2,1-2H3,(H,28,29)
InChIKeyAYPYCROYPQJHTN-UHFFFAOYSA-N
MW493.93 g/mol
LogP4.72
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide

1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide (PubChem CID 118683387) has the molecular formula C25H21ClFN5O3 and a molecular weight of 493.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide
PubChem CID118683387
Molecular FormulaC25H21ClFN5O3
Molecular Weight493.93 g/mol
Exact Mass493.13
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide
SMILESCN(C)C(=O)c1cnc(Nc2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C25H21ClFN5O3/c1-31(2)23(33)20-14-28-25(32(24(20)34)15-16-6-8-17(26)9-7-16)29-18-10-12-19(13-11-18)35-22-5-3-4-21(27)30-22/h3-14H,15H2,1-2H3,(H,28,29)
InChIKeyAYPYCROYPQJHTN-UHFFFAOYSA-N
XLogP4.72
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(2-oxobutyl)pyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 159902244
1-[(4-chlorophenyl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-3-[[(2R)-2-(hydroxymethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-dione
CID 167230027
cis-(1S,2S)-2-[[3-[(4-chlorophenyl)methyl]-4-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 167230028
1-[(4-chlorophenyl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-1,3,5-triazine-2,4-dione
CID 86567205
2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethoxycarbonyl-6-oxopyrimidin-2-yl]amino]phenoxy]-1,3-thiazole-5-carboxylic acid
CID 118683364
6-[4-[[1-[(4-chlorophenyl)methyl]-5-nitro-6-oxopyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile;6-[4-[[1-[(4-chlorophenyl)methyl]-5-nitro-6-oxopyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
CID 161073927
5-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(2-oxobutyl)pyrimidin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid
CID 146875252
methyl 2-[3-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(2-oxobutyl)pyrimidin-2-yl]amino]phenoxy]phenyl]acetate
CID 160775736
3-[(4-chlorophenyl)methyl]-5-[2-(1,2-oxazol-3-yl)-2-oxoethyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]pyrimidin-4-one
CID 159495041
(2S)-3-[3-[(4-chlorophenyl)methyl]-4-[4-(6-fluoropyrimidin-4-yl)oxyanilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylpropanoic acid
CID 121295631
4-[(4-chlorophenyl)methyl]-3-(4-pyridin-2-yloxyanilino)-6-(trifluoromethyl)-1,2,4-triazin-5-one
CID 121372533
3-[4-[(4-chlorophenyl)methyl]-5-oxo-3-(4-pyridin-2-yloxyanilino)-1,2,4-triazin-6-yl]propanoic acid
CID 121372552

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide (CID 118683387) is 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide is CN(C)C(=O)c1cnc(Nc2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is AYPYCROYPQJHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O3/c1-31(2)23(33)20-14-28-25(32(24(20)34)15-16-6-8-17(26)9-7-16)29-18-10-12-19(13-11-18)35-22-5-3-4-21(27)30-22/h3-14H,15H2,1-2H3,(H,28,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide?
1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 493.93 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N,N-dimethyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 118683387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).