3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide

C20H20FN5O3 — CID 146508145

IUPAC3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide
SMILESCOc1ncc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(C)(C)CN1
InChIInChI=1S/C20H20FN5O3/c1-20(2)9-24-19(25-10-20)26-17(28)16-14(27)5-4-11(7-22)15(16)13-6-12(21)8-23-18(13)29-3/h4-6,8,27H,9-10H2,1-3H3,(H2,24,25,26,28)
InChIKeyPDRCRBCSTINJSP-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.19
Rot. Bonds3

About 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide

3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide (PubChem CID 146508145) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide
PubChem CID146508145
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide
SMILESCOc1ncc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(C)(C)CN1
InChIInChI=1S/C20H20FN5O3/c1-20(2)9-24-19(25-10-20)26-17(28)16-14(27)5-4-11(7-22)15(16)13-6-12(21)8-23-18(13)29-3/h4-6,8,27H,9-10H2,1-3H3,(H2,24,25,26,28)
InChIKeyPDRCRBCSTINJSP-UHFFFAOYSA-N
XLogP2.19
TPSA119.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide (CID 146508145) is 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide is COc1ncc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(C)(C)CN1.
What is the InChIKey of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide?
The InChIKey is PDRCRBCSTINJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-20(2)9-24-19(25-10-20)26-17(28)16-14(27)5-4-11(7-22)15(16)13-6-12(21)8-23-18(13)29-3/h4-6,8,27H,9-10H2,1-3H3,(H2,24,25,26,28).
What are the key properties of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide?
3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide has a molecular weight of 397.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(5-fluoro-2-methoxy-3-pyridinyl)-6-hydroxybenzamide is sourced from PubChem (CID 146508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).