methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate

C13H19N3O2 — CID 155956657

IUPACmethyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc(N(C)C)nc2)C1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-5-4-10(6-14-12)7-16-8-11(9-16)13(17)18-3/h4-6,11H,7-9H2,1-3H3
InChIKeyZQYRTMVXVUPTLZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.75
Rot. Bonds4

About methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate

methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate (PubChem CID 155956657) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
PubChem CID155956657
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc(N(C)C)nc2)C1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-5-4-10(6-14-12)7-16-8-11(9-16)13(17)18-3/h4-6,11H,7-9H2,1-3H3
InChIKeyZQYRTMVXVUPTLZ-UHFFFAOYSA-N
XLogP0.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
methyl 4-[4-[[6-(dimethylamino)-3-pyridinyl]methyl]piperazin-1-yl]benzoate
CID 56890848
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70736905
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate
CID 71076330
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
methyl 1-[[4-[2-(4-methoxyphenyl)-1,3-selenazol-5-yl]phenyl]methyl]azetidine-3-carboxylate
CID 166559067
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate (CID 155956657) is methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(Cc2ccc(N(C)C)nc2)C1.
What is the InChIKey of methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate?
The InChIKey is ZQYRTMVXVUPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)12-5-4-10(6-14-12)7-16-8-11(9-16)13(17)18-3/h4-6,11H,7-9H2,1-3H3.
What are the key properties of methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate?
methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 155956657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).