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

C16H17FN4O2 — CID 173153381

IUPAC7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc(CN2CCc3cnc(C(N)=O)nc3C2)ccc1F
InChIInChI=1S/C16H17FN4O2/c1-23-14-6-10(2-3-12(14)17)8-21-5-4-11-7-19-16(15(18)22)20-13(11)9-21/h2-3,6-7H,4-5,8-9H2,1H3,(H2,18,22)
InChIKeyBGZDGIHASZVXDW-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.28
Rot. Bonds4

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

7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153381) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153381
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc(CN2CCc3cnc(C(N)=O)nc3C2)ccc1F
InChIInChI=1S/C16H17FN4O2/c1-23-14-6-10(2-3-12(14)17)8-21-5-4-11-7-19-16(15(18)22)20-13(11)9-21/h2-3,6-7H,4-5,8-9H2,1H3,(H2,18,22)
InChIKeyBGZDGIHASZVXDW-UHFFFAOYSA-N
XLogP1.28
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153381) is 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is COc1cc(CN2CCc3cnc(C(N)=O)nc3C2)ccc1F.
What is the InChIKey of 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is BGZDGIHASZVXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-23-14-6-10(2-3-12(14)17)8-21-5-4-11-7-19-16(15(18)22)20-13(11)9-21/h2-3,6-7H,4-5,8-9H2,1H3,(H2,18,22).
What are the key properties of 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).