4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C23H30N6O3 — CID 46073062

About 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46073062) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 46073062
• Molecular Formula: C23H30N6O3
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.24
• IUPAC Name: 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: C=CCNC(=O)N1CCc2nc(N3CCN(C)CC3)nc(Oc3ccccc3OC)c2C1
• InChI: InChI=1S/C23H30N6O3/c1-4-10-24-23(30)29-11-9-18-17(16-29)21(32-20-8-6-5-7-19(20)31-3)26-22(25-18)28-14-12-27(2)13-15-28/h4-8H,1,9-16H2,2-3H3,(H,24,30)
• InChIKey: MQRSRPNCAJEPJW-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 83.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46073062) is 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is C=CCNC(=O)N1CCc2nc(N3CCN(C)CC3)nc(Oc3ccccc3OC)c2C1.

What is the InChIKey of 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is MQRSRPNCAJEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-4-10-24-23(30)29-11-9-18-17(16-29)21(32-20-8-6-5-7-19(20)31-3)26-22(25-18)28-14-12-27(2)13-15-28/h4-8H,1,9-16H2,2-3H3,(H,24,30).

What are the key properties of 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46073062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).