N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide

C14H14N2O3 — CID 66185459

IUPACN-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2oc1=O)C1CNC1
InChIInChI=1S/C14H14N2O3/c1-16(10-7-15-8-10)13(17)11-6-9-4-2-3-5-12(9)19-14(11)18/h2-6,10,15H,7-8H2,1H3
InChIKeyHQASYSQVFJNYIK-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.84
Rot. Bonds2

About N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide

N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 66185459) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
PubChem CID66185459
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2oc1=O)C1CNC1
InChIInChI=1S/C14H14N2O3/c1-16(10-7-15-8-10)13(17)11-6-9-4-2-3-5-12(9)19-14(11)18/h2-6,10,15H,7-8H2,1H3
InChIKeyHQASYSQVFJNYIK-UHFFFAOYSA-N
XLogP0.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
CID 2347966
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
2-oxochromene-3-carboxylic acid
CID 161011590
3-(2-methylpiperazine-1-carbonyl)chromen-2-one
CID 62672423

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide (CID 66185459) is N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide is CN(C(=O)c1cc2ccccc2oc1=O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is HQASYSQVFJNYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16(10-7-15-8-10)13(17)11-6-9-4-2-3-5-12(9)19-14(11)18/h2-6,10,15H,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide?
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 66185459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).