2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

C16H23N3O2 — CID 156545074

IUPAC2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
SMILESC[C@@H](CC1CCC1)Oc1nc2c(cc1C(N)=O)CCCN2
InChIInChI=1S/C16H23N3O2/c1-10(8-11-4-2-5-11)21-16-13(14(17)20)9-12-6-3-7-18-15(12)19-16/h9-11H,2-8H2,1H3,(H2,17,20)(H,18,19)/t10-/m0/s1
InChIKeyWAMALWGMLXCRQY-JTQLQIEISA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds5

About 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (PubChem CID 156545074) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
PubChem CID156545074
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
SMILESC[C@@H](CC1CCC1)Oc1nc2c(cc1C(N)=O)CCCN2
InChIInChI=1S/C16H23N3O2/c1-10(8-11-4-2-5-11)21-16-13(14(17)20)9-12-6-3-7-18-15(12)19-16/h9-11H,2-8H2,1H3,(H2,17,20)(H,18,19)/t10-/m0/s1
InChIKeyWAMALWGMLXCRQY-JTQLQIEISA-N
XLogP2.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (CID 156545074) is 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is C[C@@H](CC1CCC1)Oc1nc2c(cc1C(N)=O)CCCN2.
What is the InChIKey of 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The InChIKey is WAMALWGMLXCRQY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(8-11-4-2-5-11)21-16-13(14(17)20)9-12-6-3-7-18-15(12)19-16/h9-11H,2-8H2,1H3,(H2,17,20)(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156545074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).