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

C19H19N3O4 — CID 59139331

IUPAC[3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCc1c(Cc2ccnc(N)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12
InChIInChI=1S/C19H19N3O4/c1-11-14-5-4-13(25-19(24)22(2)3)10-16(14)26-18(23)15(11)8-12-6-7-21-17(20)9-12/h4-7,9-10H,8H2,1-3H3,(H2,20,21)
InChIKeyOGSKAGRGYZDZJQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.73
Rot. Bonds3

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

[3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate (PubChem CID 59139331) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
PubChem CID59139331
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCc1c(Cc2ccnc(N)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12
InChIInChI=1S/C19H19N3O4/c1-11-14-5-4-13(25-19(24)22(2)3)10-16(14)26-18(23)15(11)8-12-6-7-21-17(20)9-12/h4-7,9-10H,8H2,1-3H3,(H2,20,21)
InChIKeyOGSKAGRGYZDZJQ-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'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate (CID 59139331) is [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate is Cc1c(Cc2ccnc(N)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12.
What is the InChIKey of [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The InChIKey is OGSKAGRGYZDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-14-5-4-13(25-19(24)22(2)3)10-16(14)26-18(23)15(11)8-12-6-7-21-17(20)9-12/h4-7,9-10H,8H2,1-3H3,(H2,20,21).
What are the key properties of [3-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate?
[3-[(2-amino-4-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-[(2-amino-4-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 59139331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).