N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C20H16ClFN4O — CID 53147235

IUPACN-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H16ClFN4O/c21-16-10-15(6-7-17(16)22)24-20(27)26-9-8-18-14(12-26)11-23-19(25-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,24,27)
InChIKeyKOYVAWFNMBUEGS-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.53
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147235) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147235
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H16ClFN4O/c21-16-10-15(6-7-17(16)22)24-20(27)26-9-8-18-14(12-26)11-23-19(25-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,24,27)
InChIKeyKOYVAWFNMBUEGS-UHFFFAOYSA-N
XLogP4.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147235) is N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is KOYVAWFNMBUEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c21-16-10-15(6-7-17(16)22)24-20(27)26-9-8-18-14(12-26)11-23-19(25-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,24,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).