1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide

C14H21N3O2 — CID 74243882

IUPAC1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCNc2cccnc2)CCC1
InChIInChI=1S/C14H21N3O2/c1-19-11-14(5-3-6-14)13(18)17-9-8-16-12-4-2-7-15-10-12/h2,4,7,10,16H,3,5-6,8-9,11H2,1H3,(H,17,18)
InChIKeyLGONKOXMJMGRAO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds7

About 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 74243882) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID74243882
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCNc2cccnc2)CCC1
InChIInChI=1S/C14H21N3O2/c1-19-11-14(5-3-6-14)13(18)17-9-8-16-12-4-2-7-15-10-12/h2,4,7,10,16H,3,5-6,8-9,11H2,1H3,(H,17,18)
InChIKeyLGONKOXMJMGRAO-UHFFFAOYSA-N
XLogP1.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide
CID 74233941
1-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 122564924
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 122556136
N-[[4-(aminomethyl)phenyl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 50973902
N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74234343
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
CID 118790225
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122289421
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide (CID 74243882) is 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide is COCC1(C(=O)NCCNc2cccnc2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is LGONKOXMJMGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-11-14(5-3-6-14)13(18)17-9-8-16-12-4-2-7-15-10-12/h2,4,7,10,16H,3,5-6,8-9,11H2,1H3,(H,17,18).
What are the key properties of 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[2-(pyridin-3-ylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 74243882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).