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

C23H21N5O2 — CID 123289202

IUPAC4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CCCNc2nc(=O)[nH]c3ncccc23)cc1
InChIInChI=1S/C23H21N5O2/c29-22(26-18-7-2-1-3-8-18)17-12-10-16(11-13-17)6-4-14-24-20-19-9-5-15-25-21(19)28-23(30)27-20/h1-3,5,7-13,15H,4,6,14H2,(H,26,29)(H2,24,25,27,28,30)
InChIKeyDEGDZIWNTYCFEJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.62
Rot. Bonds7

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

4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide (PubChem CID 123289202) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide
PubChem CID123289202
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CCCNc2nc(=O)[nH]c3ncccc23)cc1
InChIInChI=1S/C23H21N5O2/c29-22(26-18-7-2-1-3-8-18)17-12-10-16(11-13-17)6-4-14-24-20-19-9-5-15-25-21(19)28-23(30)27-20/h1-3,5,7-13,15H,4,6,14H2,(H,26,29)(H2,24,25,27,28,30)
InChIKeyDEGDZIWNTYCFEJ-UHFFFAOYSA-N
XLogP3.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123657138
3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 123952107
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
N-phenyl-4-(4-phenylbutanoyl)benzamide
CID 123756436
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-[2-(dimethylamino)ethyl]-3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123827591
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160796

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide?
The IUPAC name of 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide (CID 123289202) is 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide?
The canonical SMILES for 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(CCCNc2nc(=O)[nH]c3ncccc23)cc1.
What is the InChIKey of 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide?
The InChIKey is DEGDZIWNTYCFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(26-18-7-2-1-3-8-18)17-12-10-16(11-13-17)6-4-14-24-20-19-9-5-15-25-21(19)28-23(30)27-20/h1-3,5,7-13,15H,4,6,14H2,(H,26,29)(H2,24,25,27,28,30).
What are the key properties of 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide?
4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide is sourced from PubChem (CID 123289202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).