6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide

C23H17N5O2 — CID 86275477

IUPAC6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCn1nccc1-c1cc(C#N)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C23H17N5O2/c1-28-21(11-12-26-28)18-13-15(14-24)5-10-22(18)30-17-8-6-16(7-9-17)19-3-2-4-20(27-19)23(25)29/h2-13H,1H3,(H2,25,29)
InChIKeyOERJPSNMNKKPAG-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.91
Rot. Bonds5

About 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86275477) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86275477
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCn1nccc1-c1cc(C#N)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C23H17N5O2/c1-28-21(11-12-26-28)18-13-15(14-24)5-10-22(18)30-17-8-6-16(7-9-17)19-3-2-4-20(27-19)23(25)29/h2-13H,1H3,(H2,25,29)
InChIKeyOERJPSNMNKKPAG-UHFFFAOYSA-N
XLogP3.91
TPSA106.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
2-Methyl-2-[2-methyl-4-[[[1-methyl-5-(4-pyridin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 11283113
N-(3-cyano-5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazin-6-yl)benzamide
CID 22179588
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
3-[2-(5-Fluoro-3-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-propan-2-yloxybenzonitrile
CID 118478986
4-(Cyclopropylmethoxy)-3-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
CID 118479222
GlyT1 Inhibitor 1
CID 118479295
3-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 118479305
1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 135951784
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86275477) is 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide is Cn1nccc1-c1cc(C#N)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.
What is the InChIKey of 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is OERJPSNMNKKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-28-21(11-12-26-28)18-13-15(14-24)5-10-22(18)30-17-8-6-16(7-9-17)19-3-2-4-20(27-19)23(25)29/h2-13H,1H3,(H2,25,29).
What are the key properties of 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-cyano-2-(2-methylpyrazol-3-yl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86275477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).