(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium

C8H13N2O+ — CID 7063843

IUPAC(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium
SMILESCc1cc(C)c(C[NH3+])c(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)/p+1
InChIKeyPCJPGNCABBDNJU-UHFFFAOYSA-O
MW153.20 g/mol
LogP-0.27
Rot. Bonds1

About (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium

(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium (PubChem CID 7063843) has the molecular formula C8H13N2O+ and a molecular weight of 153.20 g/mol. Its IUPAC name is (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium.

Molecular Properties

Compound Name(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium
PubChem CID7063843
Molecular FormulaC8H13N2O+
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium
SMILESCc1cc(C)c(C[NH3+])c(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)/p+1
InChIKeyPCJPGNCABBDNJU-UHFFFAOYSA-O
XLogP-0.27
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium?
The IUPAC name of (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium (CID 7063843) is (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium.
What is the SMILES notation for (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium?
The canonical SMILES for (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium is Cc1cc(C)c(C[NH3+])c(=O)[nH]1.
What is the InChIKey of (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium?
The InChIKey is PCJPGNCABBDNJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)/p+1.
What are the key properties of (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium?
(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium has a molecular weight of 153.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium is sourced from PubChem (CID 7063843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).