4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide

C11H17N3O2 — CID 120831839

IUPAC4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCNC(C)CNC(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C11H17N3O2/c1-7-4-10(15)13-6-9(7)11(16)14-5-8(2)12-3/h4,6,8,12H,5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWIJFXHUYESIADM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds4

About 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide

4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 120831839) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID120831839
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCNC(C)CNC(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C11H17N3O2/c1-7-4-10(15)13-6-9(7)11(16)14-5-8(2)12-3/h4,6,8,12H,5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWIJFXHUYESIADM-UHFFFAOYSA-N
XLogP0.02
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide (CID 120831839) is 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide is CNC(C)CNC(=O)c1c[nH]c(=O)cc1C.
What is the InChIKey of 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WIJFXHUYESIADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-4-10(15)13-6-9(7)11(16)14-5-8(2)12-3/h4,6,8,12H,5H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 120831839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).