4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile

C14H10N4O — CID 116900839

IUPAC4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
SMILESCN1C(=O)Cc2cc(-c3ccnc(C#N)n3)ccc21
InChIInChI=1S/C14H10N4O/c1-18-12-3-2-9(6-10(12)7-14(18)19)11-4-5-16-13(8-15)17-11/h2-6H,7H2,1H3
InChIKeyQECDYXQDLFBTTB-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.53
Rot. Bonds1

About 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile

4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile (PubChem CID 116900839) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
PubChem CID116900839
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
SMILESCN1C(=O)Cc2cc(-c3ccnc(C#N)n3)ccc21
InChIInChI=1S/C14H10N4O/c1-18-12-3-2-9(6-10(12)7-14(18)19)11-4-5-16-13(8-15)17-11/h2-6H,7H2,1H3
InChIKeyQECDYXQDLFBTTB-UHFFFAOYSA-N
XLogP1.53
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile (CID 116900839) is 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile is CN1C(=O)Cc2cc(-c3ccnc(C#N)n3)ccc21.
What is the InChIKey of 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile?
The InChIKey is QECDYXQDLFBTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-18-12-3-2-9(6-10(12)7-14(18)19)11-4-5-16-13(8-15)17-11/h2-6H,7H2,1H3.
What are the key properties of 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile?
4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 116900839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).