4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid

C26H25ClN4O4 — CID 134823323

IUPAC4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
SMILESCC(C)C1CN=C(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C26H25ClN4O4/c1-16(2)22-14-29-26(31(24(22)32)15-17-3-5-18(27)6-4-17)30-19-7-9-20(10-8-19)35-21-11-12-28-23(13-21)25(33)34/h3-13,16,22H,14-15H2,1-2H3,(H,29,30)(H,33,34)
InChIKeyWMYIFYNDIFXDAL-UHFFFAOYSA-N
MW492.96 g/mol
LogP5.31
Rot. Bonds7

About 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid

4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid (PubChem CID 134823323) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
PubChem CID134823323
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC Name4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
SMILESCC(C)C1CN=C(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C26H25ClN4O4/c1-16(2)22-14-29-26(31(24(22)32)15-17-3-5-18(27)6-4-17)30-19-7-9-20(10-8-19)35-21-11-12-28-23(13-21)25(33)34/h3-13,16,22H,14-15H2,1-2H3,(H,29,30)(H,33,34)
InChIKeyWMYIFYNDIFXDAL-UHFFFAOYSA-N
XLogP5.31
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid (CID 134823323) is 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid is CC(C)C1CN=C(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)N(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
The InChIKey is WMYIFYNDIFXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c1-16(2)22-14-29-26(31(24(22)32)15-17-3-5-18(27)6-4-17)30-19-7-9-20(10-8-19)35-21-11-12-28-23(13-21)25(33)34/h3-13,16,22H,14-15H2,1-2H3,(H,29,30)(H,33,34).
What are the key properties of 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 492.96 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-propan-2-yl-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 134823323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).