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

C21H19BrN4O2 — CID 53147143

IUPACN-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2ccccc2Br)C3)cc1
InChIInChI=1S/C21H19BrN4O2/c1-28-16-8-6-14(7-9-16)20-23-12-15-13-26(11-10-18(15)24-20)21(27)25-19-5-3-2-4-17(19)22/h2-9,12H,10-11,13H2,1H3,(H,25,27)
InChIKeyOCQZMYMKOAPHHO-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.50
Rot. Bonds3

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

N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147143) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147143
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC NameN-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2ccccc2Br)C3)cc1
InChIInChI=1S/C21H19BrN4O2/c1-28-16-8-6-14(7-9-16)20-23-12-15-13-26(11-10-18(15)24-20)21(27)25-19-5-3-2-4-17(19)22/h2-9,12H,10-11,13H2,1H3,(H,25,27)
InChIKeyOCQZMYMKOAPHHO-UHFFFAOYSA-N
XLogP4.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147143) is N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2ccccc2Br)C3)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is OCQZMYMKOAPHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-28-16-8-6-14(7-9-16)20-23-12-15-13-26(11-10-18(15)24-20)21(27)25-19-5-3-2-4-17(19)22/h2-9,12H,10-11,13H2,1H3,(H,25,27).
What are the key properties of N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).