ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate

C13H17N3O4 — CID 112531402

IUPACethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N2CC(O)C2)ccn1
InChIInChI=1S/C13H17N3O4/c1-2-20-13(19)15-6-10-5-9(3-4-14-10)12(18)16-7-11(17)8-16/h3-5,11,17H,2,6-8H2,1H3,(H,15,19)
InChIKeyOCSFAOJSLMODQY-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.14
Rot. Bonds4

About ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate

ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112531402) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
PubChem CID112531402
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Nameethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N2CC(O)C2)ccn1
InChIInChI=1S/C13H17N3O4/c1-2-20-13(19)15-6-10-5-9(3-4-14-10)12(18)16-7-11(17)8-16/h3-5,11,17H,2,6-8H2,1H3,(H,15,19)
InChIKeyOCSFAOJSLMODQY-UHFFFAOYSA-N
XLogP0.14
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525138
ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112532221
methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
ethyl N-[[4-(5-amino-2-oxo-1,3-benzoxazole-3-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525915
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530224
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate (CID 112531402) is ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)N2CC(O)C2)ccn1.
What is the InChIKey of ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is OCSFAOJSLMODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-20-13(19)15-6-10-5-9(3-4-14-10)12(18)16-7-11(17)8-16/h3-5,11,17H,2,6-8H2,1H3,(H,15,19).
What are the key properties of ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 279.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112531402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).