[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea

C17H20N4O — CID 155524694

IUPAC[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea
SMILESCc1cccc(-c2nc(NC(N)=O)cc3c2CCCN3)c1C
InChIInChI=1S/C17H20N4O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-19-14(13)9-15(20-16)21-17(18)22/h3,5-6,9,19H,4,7-8H2,1-2H3,(H3,18,20,21,22)
InChIKeyJYARVOLQINDAAO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.21
Rot. Bonds2

About [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea

[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea (PubChem CID 155524694) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea.

Molecular Properties

Compound Name[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea
PubChem CID155524694
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea
SMILESCc1cccc(-c2nc(NC(N)=O)cc3c2CCCN3)c1C
InChIInChI=1S/C17H20N4O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-19-14(13)9-15(20-16)21-17(18)22/h3,5-6,9,19H,4,7-8H2,1-2H3,(H3,18,20,21,22)
InChIKeyJYARVOLQINDAAO-UHFFFAOYSA-N
XLogP3.21
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea?
The IUPAC name of [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea (CID 155524694) is [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea.
What is the SMILES notation for [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea?
The canonical SMILES for [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea is Cc1cccc(-c2nc(NC(N)=O)cc3c2CCCN3)c1C.
What is the InChIKey of [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea?
The InChIKey is JYARVOLQINDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-19-14(13)9-15(20-16)21-17(18)22/h3,5-6,9,19H,4,7-8H2,1-2H3,(H3,18,20,21,22).
What are the key properties of [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea?
[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea has a molecular weight of 296.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea is sourced from PubChem (CID 155524694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).