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

C22H22N4O2 — CID 134794013

IUPAC4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc(C)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1
InChIInChI=1S/C22H22N4O2/c1-15-23-20-12-13-26(22(27)25-17-6-4-3-5-7-17)14-19(20)21(24-15)16-8-10-18(28-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,25,27)
InChIKeyVPOCDKULEMOGDY-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.05
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 134794013) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID134794013
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc(C)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1
InChIInChI=1S/C22H22N4O2/c1-15-23-20-12-13-26(22(27)25-17-6-4-3-5-7-17)14-19(20)21(24-15)16-8-10-18(28-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,25,27)
InChIKeyVPOCDKULEMOGDY-UHFFFAOYSA-N
XLogP4.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 134794013) is 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1ccc(-c2nc(C)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is VPOCDKULEMOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-23-20-12-13-26(22(27)25-17-6-4-3-5-7-17)14-19(20)21(24-15)16-8-10-18(28-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,25,27).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134794013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).