4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide

C27H21N5O3 — CID 67253188

IUPAC4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2cccc(CNc3nc(=O)n(O)c4ncccc34)c2)cc1
InChIInChI=1S/C27H21N5O3/c33-26(30-22-8-2-1-3-9-22)20-13-11-19(12-14-20)21-7-4-6-18(16-21)17-29-24-23-10-5-15-28-25(23)32(35)27(34)31-24/h1-16,35H,17H2,(H,30,33)(H,29,31,34)
InChIKeyDDOQPNBBNGSWBF-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.56
Rot. Bonds6

About 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide

4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide (PubChem CID 67253188) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
PubChem CID67253188
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2cccc(CNc3nc(=O)n(O)c4ncccc34)c2)cc1
InChIInChI=1S/C27H21N5O3/c33-26(30-22-8-2-1-3-9-22)20-13-11-19(12-14-20)21-7-4-6-18(16-21)17-29-24-23-10-5-15-28-25(23)32(35)27(34)31-24/h1-16,35H,17H2,(H,30,33)(H,29,31,34)
InChIKeyDDOQPNBBNGSWBF-UHFFFAOYSA-N
XLogP4.56
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide 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

1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
3-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzonitrile
CID 123877756
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699
3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 123952107
N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123657138
1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154366196
3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
CID 86782024
1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
CID 53257879
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154344900
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
CID 53108676

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
The IUPAC name of 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide (CID 67253188) is 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
The canonical SMILES for 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-c2cccc(CNc3nc(=O)n(O)c4ncccc34)c2)cc1.
What is the InChIKey of 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
The InChIKey is DDOQPNBBNGSWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c33-26(30-22-8-2-1-3-9-22)20-13-11-19(12-14-20)21-7-4-6-18(16-21)17-29-24-23-10-5-15-28-25(23)32(35)27(34)31-24/h1-16,35H,17H2,(H,30,33)(H,29,31,34).
What are the key properties of 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide has a molecular weight of 463.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide is sourced from PubChem (CID 67253188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).