1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone

C14H18N2O2 — CID 114055607

IUPAC1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone
SMILESCOCC1=CCN(c2ncccc2C(C)=O)CC1
InChIInChI=1S/C14H18N2O2/c1-11(17)13-4-3-7-15-14(13)16-8-5-12(6-9-16)10-18-2/h3-5,7H,6,8-10H2,1-2H3
InChIKeyIUYCEIHMIPFKOK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone

1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone (PubChem CID 114055607) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone
PubChem CID114055607
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone
SMILESCOCC1=CCN(c2ncccc2C(C)=O)CC1
InChIInChI=1S/C14H18N2O2/c1-11(17)13-4-3-7-15-14(13)16-8-5-12(6-9-16)10-18-2/h3-5,7H,6,8-10H2,1-2H3
InChIKeyIUYCEIHMIPFKOK-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114412419
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carboxylic acid
CID 107063089
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114410182
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
3-fluoro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid
CID 114410186
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid
CID 107554479
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]furan-2-carboxylic acid
CID 114410178
2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 121203872

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone (CID 114055607) is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone is COCC1=CCN(c2ncccc2C(C)=O)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is IUYCEIHMIPFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(17)13-4-3-7-15-14(13)16-8-5-12(6-9-16)10-18-2/h3-5,7H,6,8-10H2,1-2H3.
What are the key properties of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone?
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 114055607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).