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

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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).