N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

C22H21FN4O3 — CID 135619374

IUPACN-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C22H21FN4O3/c1-2-30-17-9-7-16(8-10-17)24-22(29)27-12-11-19-18(13-27)21(28)26-20(25-19)14-3-5-15(23)6-4-14/h3-10H,2,11-13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyKBBMMJKFQAWUDJ-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.56
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 135619374) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID135619374
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C22H21FN4O3/c1-2-30-17-9-7-16(8-10-17)24-22(29)27-12-11-19-18(13-27)21(28)26-20(25-19)14-3-5-15(23)6-4-14/h3-10H,2,11-13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyKBBMMJKFQAWUDJ-UHFFFAOYSA-N
XLogP3.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (CID 135619374) is N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is CCOc1ccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is KBBMMJKFQAWUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-2-30-17-9-7-16(8-10-17)24-22(29)27-12-11-19-18(13-27)21(28)26-20(25-19)14-3-5-15(23)6-4-14/h3-10H,2,11-13H2,1H3,(H,24,29)(H,25,26,28).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135619374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).