4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile

C7H7N3O — CID 45079504

IUPAC4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCNc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C7H7N3O/c1-9-6-2-3-10-7(11)5(6)4-8/h2-3H,1H3,(H2,9,10,11)
InChIKeyUXSVVRAZCXATTF-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.29
Rot. Bonds1

About 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile

4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 45079504) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID45079504
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCNc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C7H7N3O/c1-9-6-2-3-10-7(11)5(6)4-8/h2-3H,1H3,(H2,9,10,11)
InChIKeyUXSVVRAZCXATTF-UHFFFAOYSA-N
XLogP0.29
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile (CID 45079504) is 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile is CNc1cc[nH]c(=O)c1C#N.
What is the InChIKey of 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is UXSVVRAZCXATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-9-6-2-3-10-7(11)5(6)4-8/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile?
4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 45079504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).