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

C18H21FN4O2 — CID 53147204

IUPAC2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C18H21FN4O2/c1-25-10-2-8-20-18(24)23-9-7-16-14(12-23)11-21-17(22-16)13-3-5-15(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,20,24)
InChIKeyGQPAKBJFDDFWFC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.39
Rot. Bonds5

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

2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147204) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147204
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C18H21FN4O2/c1-25-10-2-8-20-18(24)23-9-7-16-14(12-23)11-21-17(22-16)13-3-5-15(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,20,24)
InChIKeyGQPAKBJFDDFWFC-UHFFFAOYSA-N
XLogP2.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147204) is 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COCCCNC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is GQPAKBJFDDFWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-25-10-2-8-20-18(24)23-9-7-16-14(12-23)11-21-17(22-16)13-3-5-15(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,20,24).
What are the key properties of 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).