4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C23H29FN4O2 — CID 69482332

IUPAC4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCCCCC(C)CCC(=O)N1C=C2CN=C(NC(=O)c3ccc(F)cc3)N=C2CC1
InChIInChI=1S/C23H29FN4O2/c1-3-4-5-16(2)6-11-21(29)28-13-12-20-18(15-28)14-25-23(26-20)27-22(30)17-7-9-19(24)10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,25,27,30)
InChIKeyWHEPQBJMTKCZJZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.09
Rot. Bonds7

About 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 69482332) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID69482332
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCCCCC(C)CCC(=O)N1C=C2CN=C(NC(=O)c3ccc(F)cc3)N=C2CC1
InChIInChI=1S/C23H29FN4O2/c1-3-4-5-16(2)6-11-21(29)28-13-12-20-18(15-28)14-25-23(26-20)27-22(30)17-7-9-19(24)10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,25,27,30)
InChIKeyWHEPQBJMTKCZJZ-UHFFFAOYSA-N
XLogP4.09
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 69482332) is 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is CCCCC(C)CCC(=O)N1C=C2CN=C(NC(=O)c3ccc(F)cc3)N=C2CC1.
What is the InChIKey of 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is WHEPQBJMTKCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-3-4-5-16(2)6-11-21(29)28-13-12-20-18(15-28)14-25-23(26-20)27-22(30)17-7-9-19(24)10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,25,27,30).
What are the key properties of 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(4-methyloctanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 69482332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).