(5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C21H18N4O4 — CID 52898244

IUPAC(5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1
InChIInChI=1S/C21H18N4O4/c26-16-11-15(19(27)22-14-9-5-2-6-10-14)17-18(23-16)25(21(29)24-20(17)28)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,22,27)(H,23,26)(H,24,28,29)/t15-/m1/s1
InChIKeyKOZXOMMRMHPLNQ-OAHLLOKOSA-N
MW390.40 g/mol
LogP1.65
Rot. Bonds4

About (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 52898244) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID52898244
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name(5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1
InChIInChI=1S/C21H18N4O4/c26-16-11-15(19(27)22-14-9-5-2-6-10-14)17-18(23-16)25(21(29)24-20(17)28)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,22,27)(H,23,26)(H,24,28,29)/t15-/m1/s1
InChIKeyKOZXOMMRMHPLNQ-OAHLLOKOSA-N
XLogP1.65
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 52996204
1-benzyl-N-(2-fluorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 51055130
2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135654194
(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886202
2-anilino-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135629396
(5R)-2-benzylsulfanyl-N-(4-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885142
(5R)-2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896546
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(5R)-2-benzylsulfanyl-N-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885140
(5S)-2-benzylsulfanyl-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885156
(5S)-2-benzylsulfanyl-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885136
(5S)-N-(4-acetamidophenyl)-2-anilino-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875901

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 52898244) is (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1.
What is the InChIKey of (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KOZXOMMRMHPLNQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-16-11-15(19(27)22-14-9-5-2-6-10-14)17-18(23-16)25(21(29)24-20(17)28)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,22,27)(H,23,26)(H,24,28,29)/t15-/m1/s1.
What are the key properties of (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-2,4,7-trioxo-N-phenyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 52898244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).