4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide

C21H18N4O3 — CID 155539033

IUPAC4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C21H18N4O3/c22-18(26)13-6-8-15(9-7-13)21(28)25-11-10-17-16(12-25)20(27)24-19(23-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,22,26)(H,23,24,27)
InChIKeyFQUMSYXDXWDTQP-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.73
Rot. Bonds3

About 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide

4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide (PubChem CID 155539033) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide.

Molecular Properties

Compound Name4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
PubChem CID155539033
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C21H18N4O3/c22-18(26)13-6-8-15(9-7-13)21(28)25-11-10-17-16(12-25)20(27)24-19(23-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,22,26)(H,23,24,27)
InChIKeyFQUMSYXDXWDTQP-UHFFFAOYSA-N
XLogP1.73
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide?
The IUPAC name of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide (CID 155539033) is 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide.
What is the SMILES notation for 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide?
The canonical SMILES for 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide is NC(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide?
The InChIKey is FQUMSYXDXWDTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c22-18(26)13-6-8-15(9-7-13)21(28)25-11-10-17-16(12-25)20(27)24-19(23-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,22,26)(H,23,24,27).
What are the key properties of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide?
4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide has a molecular weight of 374.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide is sourced from PubChem (CID 155539033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).