2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide

C23H20N4O3 — CID 10597112

IUPAC2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)c1ccccc1
InChIInChI=1S/C23H20N4O3/c1-2-17(14-9-5-3-6-10-14)25-21(28)16-13-18(15-11-7-4-8-12-15)24-20-19(16)22(29)27-23(30)26-20/h3-13,17H,2H2,1H3,(H,25,28)(H2,24,26,27,29,30)
InChIKeyJRXWVNGOFOQNDU-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.16
Rot. Bonds5

About 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide

2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 10597112) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID10597112
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)c1ccccc1
InChIInChI=1S/C23H20N4O3/c1-2-17(14-9-5-3-6-10-14)25-21(28)16-13-18(15-11-7-4-8-12-15)24-20-19(16)22(29)27-23(30)26-20/h3-13,17H,2H2,1H3,(H,25,28)(H2,24,26,27,29,30)
InChIKeyJRXWVNGOFOQNDU-UHFFFAOYSA-N
XLogP3.16
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
N-[1-(4-methoxyphenyl)propyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55756377
N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10577234
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 10597112) is 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide is CCC(NC(=O)c1cc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)c1ccccc1.
What is the InChIKey of 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JRXWVNGOFOQNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-2-17(14-9-5-3-6-10-14)25-21(28)16-13-18(15-11-7-4-8-12-15)24-20-19(16)22(29)27-23(30)26-20/h3-13,17H,2H2,1H3,(H,25,28)(H2,24,26,27,29,30).
What are the key properties of 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide?
2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 10597112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).