1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea

C16H17N3O2 — CID 12733184

IUPAC1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea
SMILESCNC(=O)N(C)C1c2cc(C)ccc2Oc2ncccc21
InChIInChI=1S/C16H17N3O2/c1-10-6-7-13-12(9-10)14(19(3)16(20)17-2)11-5-4-8-18-15(11)21-13/h4-9,14H,1-3H3,(H,17,20)
InChIKeyKENYSAPTWKJIMW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.86
Rot. Bonds1

About 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea

1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea (PubChem CID 12733184) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea
PubChem CID12733184
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea
SMILESCNC(=O)N(C)C1c2cc(C)ccc2Oc2ncccc21
InChIInChI=1S/C16H17N3O2/c1-10-6-7-13-12(9-10)14(19(3)16(20)17-2)11-5-4-8-18-15(11)21-13/h4-9,14H,1-3H3,(H,17,20)
InChIKeyKENYSAPTWKJIMW-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea?
The IUPAC name of 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea (CID 12733184) is 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea?
The canonical SMILES for 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea is CNC(=O)N(C)C1c2cc(C)ccc2Oc2ncccc21.
What is the InChIKey of 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea?
The InChIKey is KENYSAPTWKJIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-6-7-13-12(9-10)14(19(3)16(20)17-2)11-5-4-8-18-15(11)21-13/h4-9,14H,1-3H3,(H,17,20).
What are the key properties of 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea?
1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(7-methyl-5H-chromeno[2,3-b]pyridin-5-yl)urea is sourced from PubChem (CID 12733184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).