[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate

C17H17N3O4 — CID 175073934

IUPAC[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate
SMILESCC1Oc2cc(C(=O)N(C)C)ccc2-c2cnc(OC(N)=O)cc21
InChIInChI=1S/C17H17N3O4/c1-9-12-7-15(24-17(18)22)19-8-13(12)11-5-4-10(6-14(11)23-9)16(21)20(2)3/h4-9H,1-3H3,(H2,18,22)
InChIKeyIXICLJUGSKOHSH-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.36
Rot. Bonds2

About [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate

[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate (PubChem CID 175073934) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate.

Molecular Properties

Compound Name[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate
PubChem CID175073934
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate
SMILESCC1Oc2cc(C(=O)N(C)C)ccc2-c2cnc(OC(N)=O)cc21
InChIInChI=1S/C17H17N3O4/c1-9-12-7-15(24-17(18)22)19-8-13(12)11-5-4-10(6-14(11)23-9)16(21)20(2)3/h4-9H,1-3H3,(H2,18,22)
InChIKeyIXICLJUGSKOHSH-UHFFFAOYSA-N
XLogP2.36
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate?
The IUPAC name of [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate (CID 175073934) is [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate.
What is the SMILES notation for [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate?
The canonical SMILES for [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate is CC1Oc2cc(C(=O)N(C)C)ccc2-c2cnc(OC(N)=O)cc21.
What is the InChIKey of [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate?
The InChIKey is IXICLJUGSKOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9-12-7-15(24-17(18)22)19-8-13(12)11-5-4-10(6-14(11)23-9)16(21)20(2)3/h4-9H,1-3H3,(H2,18,22).
What are the key properties of [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate?
[8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate has a molecular weight of 327.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylcarbamoyl)-5-methyl-5H-chromeno[4,3-c]pyridin-3-yl] carbamate is sourced from PubChem (CID 175073934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).