N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide

C18H16N2O4 — CID 87041237

IUPACN-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)n1
InChIInChI=1S/C18H16N2O4/c1-12-3-2-4-14(20-12)10-19-17(21)11-23-15-7-5-13-6-8-18(22)24-16(13)9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyMSILNVMKNJUBLW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.19
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 87041237) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID87041237
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)n1
InChIInChI=1S/C18H16N2O4/c1-12-3-2-4-14(20-12)10-19-17(21)11-23-15-7-5-13-6-8-18(22)24-16(13)9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyMSILNVMKNJUBLW-UHFFFAOYSA-N
XLogP2.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 56524279
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51153321
2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55619201
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-[3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 55954154

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 87041237) is N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide is Cc1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is MSILNVMKNJUBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-3-2-4-14(20-12)10-19-17(21)11-23-15-7-5-13-6-8-18(22)24-16(13)9-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 324.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 87041237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).