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

C15H13FN4O2 — CID 173153608

IUPAC7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-2-9(6-11)15(22)20-5-4-10-7-18-14(13(17)21)19-12(10)8-20/h1-3,6-7H,4-5,8H2,(H2,17,21)
InChIKeyDDUALHTWMYXINU-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.91
Rot. Bonds2

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

7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153608) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153608
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-2-9(6-11)15(22)20-5-4-10-7-18-14(13(17)21)19-12(10)8-20/h1-3,6-7H,4-5,8H2,(H2,17,21)
InChIKeyDDUALHTWMYXINU-UHFFFAOYSA-N
XLogP0.91
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153608) is 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is DDUALHTWMYXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-11-3-1-2-9(6-11)15(22)20-5-4-10-7-18-14(13(17)21)19-12(10)8-20/h1-3,6-7H,4-5,8H2,(H2,17,21).
What are the key properties of 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).