N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C10H13N3O3 — CID 60715860

IUPACN-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(N)=O)c(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c1-5-3-6(2)13-10(16)8(5)9(15)12-4-7(11)14/h3H,4H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyLXMHQJLULYPTSG-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.79
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 60715860) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID60715860
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(N)=O)c(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c1-5-3-6(2)13-10(16)8(5)9(15)12-4-7(11)14/h3H,4H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyLXMHQJLULYPTSG-UHFFFAOYSA-N
XLogP-0.79
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 60715860) is N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC(N)=O)c(=O)[nH]1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LXMHQJLULYPTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-3-6(2)13-10(16)8(5)9(15)12-4-7(11)14/h3H,4H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16).
What are the key properties of N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 223.23 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60715860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).