(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid

C15H15N3O2 — CID 129050639

IUPAC(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc2c(nc1-c1ccccc1)CCNC2
InChIInChI=1S/C15H15N3O2/c19-15(20)18-13-8-11-9-16-7-6-12(11)17-14(13)10-4-2-1-3-5-10/h1-5,8,16,18H,6-7,9H2,(H,19,20)
InChIKeyVNOAZHZVBUWTLL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.48
Rot. Bonds2

About (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid

(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid (PubChem CID 129050639) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid.

Molecular Properties

Compound Name(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid
PubChem CID129050639
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc2c(nc1-c1ccccc1)CCNC2
InChIInChI=1S/C15H15N3O2/c19-15(20)18-13-8-11-9-16-7-6-12(11)17-14(13)10-4-2-1-3-5-10/h1-5,8,16,18H,6-7,9H2,(H,19,20)
InChIKeyVNOAZHZVBUWTLL-UHFFFAOYSA-N
XLogP2.48
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid?
The IUPAC name of (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid (CID 129050639) is (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid.
What is the SMILES notation for (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid?
The canonical SMILES for (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid is O=C(O)Nc1cc2c(nc1-c1ccccc1)CCNC2.
What is the InChIKey of (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid?
The InChIKey is VNOAZHZVBUWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)18-13-8-11-9-16-7-6-12(11)17-14(13)10-4-2-1-3-5-10/h1-5,8,16,18H,6-7,9H2,(H,19,20).
What are the key properties of (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid?
(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid has a molecular weight of 269.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid is sourced from PubChem (CID 129050639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).