4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide

C21H15FN6O2 — CID 66631060

IUPAC4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(COc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
InChIInChI=1S/C21H15FN6O2/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29)
InChIKeyIMPZNZTUWCSHTB-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.55
Rot. Bonds5

About 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide

4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide (PubChem CID 66631060) has the molecular formula C21H15FN6O2 and a molecular weight of 402.39 g/mol. Its IUPAC name is 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
PubChem CID66631060
Molecular FormulaC21H15FN6O2
Molecular Weight402.39 g/mol
Exact Mass402.12
IUPAC Name4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(COc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1
InChIInChI=1S/C21H15FN6O2/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29)
InChIKeyIMPZNZTUWCSHTB-UHFFFAOYSA-N
XLogP2.55
TPSA137.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide (CID 66631060) is 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(COc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1.
What is the InChIKey of 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is IMPZNZTUWCSHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O2/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29).
What are the key properties of 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66631060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).