2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C17H22N2O5 — CID 120977266

IUPAC2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1ccnc(OC2CCOCC2)c1
InChIInChI=1S/C17H22N2O5/c20-16(13-1-2-14(13)17(21)22)19-10-11-3-6-18-15(9-11)24-12-4-7-23-8-5-12/h3,6,9,12-14H,1-2,4-5,7-8,10H2,(H,19,20)(H,21,22)
InChIKeyFYBKQSXZAFKMAD-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.37
Rot. Bonds6

About 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977266) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977266
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1ccnc(OC2CCOCC2)c1
InChIInChI=1S/C17H22N2O5/c20-16(13-1-2-14(13)17(21)22)19-10-11-3-6-18-15(9-11)24-12-4-7-23-8-5-12/h3,6,9,12-14H,1-2,4-5,7-8,10H2,(H,19,20)(H,21,22)
InChIKeyFYBKQSXZAFKMAD-UHFFFAOYSA-N
XLogP1.37
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 75407392
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
3-[[[2-(oxan-4-yloxy)-4-pyridinyl]methylamino]methyl]benzoic acid
CID 122031287
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119160012
(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120636780
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
CID 60612889
4-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002138
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55659546

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977266) is 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCc1ccnc(OC2CCOCC2)c1.
What is the InChIKey of 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is FYBKQSXZAFKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-16(13-1-2-14(13)17(21)22)19-10-11-3-6-18-15(9-11)24-12-4-7-23-8-5-12/h3,6,9,12-14H,1-2,4-5,7-8,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).