[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate

C19H19N3O4 — CID 59139378

IUPAC[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCc1c(Cc2cccc(N)n2)c(=O)oc2cc(OC(=O)N(C)C)ccc12
InChIInChI=1S/C19H19N3O4/c1-11-14-8-7-13(25-19(24)22(2)3)10-16(14)26-18(23)15(11)9-12-5-4-6-17(20)21-12/h4-8,10H,9H2,1-3H3,(H2,20,21)
InChIKeyWBHSEIPUNHSUFK-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.73
Rot. Bonds3

About [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate

[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate (PubChem CID 59139378) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
PubChem CID59139378
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCc1c(Cc2cccc(N)n2)c(=O)oc2cc(OC(=O)N(C)C)ccc12
InChIInChI=1S/C19H19N3O4/c1-11-14-8-7-13(25-19(24)22(2)3)10-16(14)26-18(23)15(11)9-12-5-4-6-17(20)21-12/h4-8,10H,9H2,1-3H3,(H2,20,21)
InChIKeyWBHSEIPUNHSUFK-UHFFFAOYSA-N
XLogP2.73
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate 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

[3-[[3-amino-6-(methylsulfamoyl)-2-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 25206584
[3-[[3-[[2-(dimethylamino)-2-oxoethyl]sulfonylamino]phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139111
[4-(fluoromethyl)-3-[(3-nitrosophenyl)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 88950498
[3-[[2-(ethylsulfonylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 165147885
[4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59139410
(3-benzyl-4-methyl-2-oxochromen-7-yl) benzoate
CID 1325092
2-(7-acetyloxy-4-methyl-2-oxochromen-3-yl)ethyl acetate
CID 23643937
[3-[(3-amino-2-fluorophenyl)methyl]-6-fluoro-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139159
[3-[[3-(aminosulfanylamino)phenyl]methyl]-6-chloro-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 143749853
[3-[[3-(chloromethyl)-2-fluorophenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 168982897
[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 4966268
[3-[(3-amino-2-fluorophenyl)methyl]-4-[[methyl(prop-2-ynyl)amino]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate;methanamine
CID 171565931

Frequently Asked Questions

What is the IUPAC name of [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate (CID 59139378) is [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate is Cc1c(Cc2cccc(N)n2)c(=O)oc2cc(OC(=O)N(C)C)ccc12.
What is the InChIKey of [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The InChIKey is WBHSEIPUNHSUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-14-8-7-13(25-19(24)22(2)3)10-16(14)26-18(23)15(11)9-12-5-4-6-17(20)21-12/h4-8,10H,9H2,1-3H3,(H2,20,21).
What are the key properties of [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate has a molecular weight of 353.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 59139378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).