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

C19H18FN5O2 — CID 146508014

IUPAC3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide
SMILESCC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2-c2ccnc(F)c2)NC1
InChIInChI=1S/C19H18FN5O2/c1-19(2)9-23-18(24-10-19)25-17(27)16-13(26)4-3-12(8-21)15(16)11-5-6-22-14(20)7-11/h3-7,26H,9-10H2,1-2H3,(H2,23,24,25,27)
InChIKeyZBEYFCVQSVMQPO-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.18
Rot. Bonds2

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

3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide (PubChem CID 146508014) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide
PubChem CID146508014
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide
SMILESCC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2-c2ccnc(F)c2)NC1
InChIInChI=1S/C19H18FN5O2/c1-19(2)9-23-18(24-10-19)25-17(27)16-13(26)4-3-12(8-21)15(16)11-5-6-22-14(20)7-11/h3-7,26H,9-10H2,1-2H3,(H2,23,24,25,27)
InChIKeyZBEYFCVQSVMQPO-UHFFFAOYSA-N
XLogP2.18
TPSA110.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-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-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide (CID 146508014) is 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide is CC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2-c2ccnc(F)c2)NC1.
What is the InChIKey of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide?
The InChIKey is ZBEYFCVQSVMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-19(2)9-23-18(24-10-19)25-17(27)16-13(26)4-3-12(8-21)15(16)11-5-6-22-14(20)7-11/h3-7,26H,9-10H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide?
3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-2-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide has a molecular weight of 367.38 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 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-(2-fluoro-4-pyridinyl)-6-hydroxybenzamide is sourced from PubChem (CID 146508014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).