N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H17N3O3 — CID 113247214

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)C(=O)N(C)C)c[nH]1
InChIInChI=1S/C12H17N3O3/c1-7-5-10(16)9(6-13-7)11(17)14-8(2)12(18)15(3)4/h5-6,8H,1-4H3,(H,13,16)(H,14,17)
InChIKeyMAEVJRHRIVHJNJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.11
Rot. Bonds3

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 113247214) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID113247214
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)C(=O)N(C)C)c[nH]1
InChIInChI=1S/C12H17N3O3/c1-7-5-10(16)9(6-13-7)11(17)14-8(2)12(18)15(3)4/h5-6,8H,1-4H3,(H,13,16)(H,14,17)
InChIKeyMAEVJRHRIVHJNJ-UHFFFAOYSA-N
XLogP-0.11
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 113247214) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)C(=O)N(C)C)c[nH]1.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MAEVJRHRIVHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-10(16)9(6-13-7)11(17)14-8(2)12(18)15(3)4/h5-6,8H,1-4H3,(H,13,16)(H,14,17).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113247214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).