2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile

C21H15N5O2 — CID 155295439

IUPAC2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(C2C=CC(=O)N=C2)cc1=O
InChIInChI=1S/C21H15N5O2/c1-25-13-18(17(8-21(25)28)15-6-7-20(27)23-10-15)16-11-24-26(12-16)19-5-3-2-4-14(19)9-22/h2-8,10-13,15H,1H3
InChIKeyMINVGRJTIUOOJE-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.36
Rot. Bonds3

About 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 155295439) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID155295439
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(C2C=CC(=O)N=C2)cc1=O
InChIInChI=1S/C21H15N5O2/c1-25-13-18(17(8-21(25)28)15-6-7-20(27)23-10-15)16-11-24-26(12-16)19-5-3-2-4-14(19)9-22/h2-8,10-13,15H,1H3
InChIKeyMINVGRJTIUOOJE-UHFFFAOYSA-N
XLogP2.36
TPSA93.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile with MolForge

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Related Compounds

2-[4-(1-methyl-6-oxo-4-propan-2-yloxy-3-pyridinyl)pyrazol-1-yl]benzonitrile
CID 135355129
2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 135355198
2-chloro-6-[4-[1-methyl-4-[2-(methylamino)pyrimidin-5-yl]-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 135355527
2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
CID 135355426
2-[4-[4-(6-cyclopentyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
CID 135355415
1-(2-cyanophenyl)pyrazole-4-carboxylic acid
CID 53415450
5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
CID 140929080
4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
CID 135355125
4-cyclopentyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355394
2-[4-[1-methyl-4-[6-(2-methylpropoxy)-3-pyridinyl]-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
CID 135355387
2-chloro-6-[4-[4-[2-(2-methoxyethylamino)pyrimidin-5-yl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
CID 135355403
2-[4-(4-aminophenyl)pyrazol-1-yl]-5-bromobenzonitrile
CID 114895168

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 155295439) is 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(C2C=CC(=O)N=C2)cc1=O.
What is the InChIKey of 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is MINVGRJTIUOOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-25-13-18(17(8-21(25)28)15-6-7-20(27)23-10-15)16-11-24-26(12-16)19-5-3-2-4-14(19)9-22/h2-8,10-13,15H,1H3.
What are the key properties of 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 369.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-methyl-6-oxo-4-(6-oxo-3H-pyridin-3-yl)-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 155295439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).