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

C17H14FN5O3 — CID 146507996

IUPAC3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
SMILESCOc1cnc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1
InChIInChI=1S/C17H14FN5O3/c1-26-12-8-22-13(18)6-10(12)14-9(7-19)2-3-11(24)15(14)16(25)23-17-20-4-5-21-17/h2-3,6,8,24H,4-5H2,1H3,(H2,20,21,23,25)
InChIKeyVPLYUHQEWFODHI-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.16
Rot. Bonds3

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

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide (PubChem CID 146507996) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
PubChem CID146507996
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
SMILESCOc1cnc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1
InChIInChI=1S/C17H14FN5O3/c1-26-12-8-22-13(18)6-10(12)14-9(7-19)2-3-11(24)15(14)16(25)23-17-20-4-5-21-17/h2-3,6,8,24H,4-5H2,1H3,(H2,20,21,23,25)
InChIKeyVPLYUHQEWFODHI-UHFFFAOYSA-N
XLogP1.16
TPSA119.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide (CID 146507996) is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide is COc1cnc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1.
What is the InChIKey of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide?
The InChIKey is VPLYUHQEWFODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-26-12-8-22-13(18)6-10(12)14-9(7-19)2-3-11(24)15(14)16(25)23-17-20-4-5-21-17/h2-3,6,8,24H,4-5H2,1H3,(H2,20,21,23,25).
What are the key properties of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide?
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide has a molecular weight of 355.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide is sourced from PubChem (CID 146507996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).