2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide

C17H14FN5O3 — CID 146507969

IUPAC2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide
SMILESCOc1ccc(F)cc1-c1c(C#N)ncc(O)c1C(=O)NC1=NCCN1
InChIInChI=1S/C17H14FN5O3/c1-26-13-3-2-9(18)6-10(13)14-11(7-19)22-8-12(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)
InChIKeyZWYIOQLEVQGJDW-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.16
Rot. Bonds3

About 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide

2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide (PubChem CID 146507969) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide
PubChem CID146507969
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide
SMILESCOc1ccc(F)cc1-c1c(C#N)ncc(O)c1C(=O)NC1=NCCN1
InChIInChI=1S/C17H14FN5O3/c1-26-13-3-2-9(18)6-10(13)14-11(7-19)22-8-12(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)
InChIKeyZWYIOQLEVQGJDW-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide (CID 146507969) is 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide is COc1ccc(F)cc1-c1c(C#N)ncc(O)c1C(=O)NC1=NCCN1.
What is the InChIKey of 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide?
The InChIKey is ZWYIOQLEVQGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-26-13-3-2-9(18)6-10(13)14-11(7-19)22-8-12(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 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide?
2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide 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 2-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-3-(5-fluoro-2-methoxyphenyl)-5-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 146507969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).