4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C9H16N2O2 — CID 114401798

IUPAC4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)11-5-3-8(4-6-11)7-13-2/h3H,4-7H2,1-2H3,(H,10,12)
InChIKeyIQKAGBAISWFAKC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.60
Rot. Bonds2

About 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 114401798) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID114401798
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)11-5-3-8(4-6-11)7-13-2/h3H,4-7H2,1-2H3,(H,10,12)
InChIKeyIQKAGBAISWFAKC-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
N-(2-chloroacetyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412226
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130621040
N-(3-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412228
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412428
(2S)-4-methoxy-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-oxobutanoic acid
CID 104921533
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
CID 114412200
2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114412196
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 114401798) is 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CNC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is IQKAGBAISWFAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(12)11-5-3-8(4-6-11)7-13-2/h3H,4-7H2,1-2H3,(H,10,12).
What are the key properties of 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 114401798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).