3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide

C27H21N5O2 — CID 123952107

IUPAC3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2ccc(CNc3nc(=O)[nH]c4ncccc34)cc2)c1
InChIInChI=1S/C27H21N5O2/c33-26(30-22-8-2-1-3-9-22)21-7-4-6-20(16-21)19-13-11-18(12-14-19)17-29-25-23-10-5-15-28-24(23)31-27(34)32-25/h1-16H,17H2,(H,30,33)(H2,28,29,31,32,34)
InChIKeyZOIYNRVUUMRSQH-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.85
Rot. Bonds6

About 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide

3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide (PubChem CID 123952107) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
PubChem CID123952107
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2ccc(CNc3nc(=O)[nH]c4ncccc34)cc2)c1
InChIInChI=1S/C27H21N5O2/c33-26(30-22-8-2-1-3-9-22)21-7-4-6-20(16-21)19-13-11-18(12-14-19)17-29-25-23-10-5-15-28-24(23)31-27(34)32-25/h1-16H,17H2,(H,30,33)(H2,28,29,31,32,34)
InChIKeyZOIYNRVUUMRSQH-UHFFFAOYSA-N
XLogP4.85
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide with MolForge

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Related Compounds

N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123657138
N-[2-(dimethylamino)ethyl]-3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123827591
4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide
CID 123289202
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one
CID 123653745
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
CID 86782024
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
The IUPAC name of 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide (CID 123952107) is 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
The canonical SMILES for 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(-c2ccc(CNc3nc(=O)[nH]c4ncccc34)cc2)c1.
What is the InChIKey of 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
The InChIKey is ZOIYNRVUUMRSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c33-26(30-22-8-2-1-3-9-22)21-7-4-6-20(16-21)19-13-11-18(12-14-19)17-29-25-23-10-5-15-28-24(23)31-27(34)32-25/h1-16H,17H2,(H,30,33)(H2,28,29,31,32,34).
What are the key properties of 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide?
3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide has a molecular weight of 447.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide is sourced from PubChem (CID 123952107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).