methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate

C14H18N2O5 — CID 121017369

IUPACmethyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
SMILESCOCCOc1cc(C(=O)N2CC(C(=O)OC)C2)ccn1
InChIInChI=1S/C14H18N2O5/c1-19-5-6-21-12-7-10(3-4-15-12)13(17)16-8-11(9-16)14(18)20-2/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyFSVQRIZYCUURPO-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.35
Rot. Bonds6

About methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate

methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate (PubChem CID 121017369) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
PubChem CID121017369
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
SMILESCOCCOc1cc(C(=O)N2CC(C(=O)OC)C2)ccn1
InChIInChI=1S/C14H18N2O5/c1-19-5-6-21-12-7-10(3-4-15-12)13(17)16-8-11(9-16)14(18)20-2/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyFSVQRIZYCUURPO-UHFFFAOYSA-N
XLogP0.35
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 124891801
tert-butyl (3S)-4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-3-methylpiperazine-1-carboxylate
CID 124891577
1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512802
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 138000668
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 121017346
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 124727916

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate (CID 121017369) is methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate is COCCOc1cc(C(=O)N2CC(C(=O)OC)C2)ccn1.
What is the InChIKey of methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate?
The InChIKey is FSVQRIZYCUURPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-5-6-21-12-7-10(3-4-15-12)13(17)16-8-11(9-16)14(18)20-2/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate?
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate is sourced from PubChem (CID 121017369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).