N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide

C13H21N3O3 — CID 130460161

IUPACN-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
SMILESCc1cc(COCCN(C)C)c(CNC=O)c(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-10-6-11(8-19-5-4-16(2)3)12(7-14-9-17)13(18)15-10/h6,9H,4-5,7-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFECJCQCBMRZOAZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.01
Rot. Bonds8

About N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide

N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide (PubChem CID 130460161) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
PubChem CID130460161
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
SMILESCc1cc(COCCN(C)C)c(CNC=O)c(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-10-6-11(8-19-5-4-16(2)3)12(7-14-9-17)13(18)15-10/h6,9H,4-5,7-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFECJCQCBMRZOAZ-UHFFFAOYSA-N
XLogP0.01
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide (CID 130460161) is N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide is Cc1cc(COCCN(C)C)c(CNC=O)c(=O)[nH]1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
The InChIKey is FECJCQCBMRZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-6-11(8-19-5-4-16(2)3)12(7-14-9-17)13(18)15-10/h6,9H,4-5,7-8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide has a molecular weight of 267.33 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide is sourced from PubChem (CID 130460161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).