9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine

C14H19N3 — CID 146393716

IUPAC9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESCC(C)(C)c1c[nH]c2ncc3c(c12)NCCC3
InChIInChI=1S/C14H19N3/c1-14(2,3)10-8-17-13-11(10)12-9(7-16-13)5-4-6-15-12/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRYYQSOLLKRIOSY-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.22
Rot. Bonds

About 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine

9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine (PubChem CID 146393716) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine.

Molecular Properties

Compound Name9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine
PubChem CID146393716
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESCC(C)(C)c1c[nH]c2ncc3c(c12)NCCC3
InChIInChI=1S/C14H19N3/c1-14(2,3)10-8-17-13-11(10)12-9(7-16-13)5-4-6-15-12/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRYYQSOLLKRIOSY-UHFFFAOYSA-N
XLogP3.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine?
The IUPAC name of 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine (CID 146393716) is 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine.
What is the SMILES notation for 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine?
The canonical SMILES for 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine is CC(C)(C)c1c[nH]c2ncc3c(c12)NCCC3.
What is the InChIKey of 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine?
The InChIKey is RYYQSOLLKRIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)10-8-17-13-11(10)12-9(7-16-13)5-4-6-15-12/h7-8,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine?
9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine has a molecular weight of 229.33 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h][1,6]naphthyridine is sourced from PubChem (CID 146393716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).