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

C23H23ClFN5O — CID 42666262

IUPACN-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C23H23ClFN5O/c1-3-29(2)22-17-14-30(23(31)26-16-9-10-19(25)18(24)13-16)12-11-20(17)27-21(28-22)15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,26,31)
InChIKeyPVXQZALVODKNAZ-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.98
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42666262) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42666262
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C23H23ClFN5O/c1-3-29(2)22-17-14-30(23(31)26-16-9-10-19(25)18(24)13-16)12-11-20(17)27-21(28-22)15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,26,31)
InChIKeyPVXQZALVODKNAZ-UHFFFAOYSA-N
XLogP4.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42666262) is N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is PVXQZALVODKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c1-3-29(2)22-17-14-30(23(31)26-16-9-10-19(25)18(24)13-16)12-11-20(17)27-21(28-22)15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,26,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42666262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).