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

C21H19BrN4O2 — CID 53147147

IUPACN-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2cccc(Br)c2)C3)cc1
InChIInChI=1S/C21H19BrN4O2/c1-28-18-7-5-14(6-8-18)20-23-12-15-13-26(10-9-19(15)25-20)21(27)24-17-4-2-3-16(22)11-17/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)
InChIKeyOGOJKOWMVQXHDV-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.50
Rot. Bonds3

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

N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147147) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147147
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC NameN-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2cccc(Br)c2)C3)cc1
InChIInChI=1S/C21H19BrN4O2/c1-28-18-7-5-14(6-8-18)20-23-12-15-13-26(10-9-19(15)25-20)21(27)24-17-4-2-3-16(22)11-17/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)
InChIKeyOGOJKOWMVQXHDV-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-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147147) is N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2cccc(Br)c2)C3)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is OGOJKOWMVQXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-28-18-7-5-14(6-8-18)20-23-12-15-13-26(10-9-19(15)25-20)21(27)24-17-4-2-3-16(22)11-17/h2-8,11-12H,9-10,13H2,1H3,(H,24,27).
What are the key properties of N-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-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-(3-bromophenyl)-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).