7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide

C22H27N3O2 — CID 137363252

IUPAC7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CC2(CC(NC(=O)c3cnc4nc(C5CC5)ccc4c3)C2)C1
InChIInChI=1S/C22H27N3O2/c1-21(2,27)16-8-22(9-16)10-17(11-22)24-20(26)15-7-14-5-6-18(13-3-4-13)25-19(14)23-12-15/h5-7,12-13,16-17,27H,3-4,8-11H2,1-2H3,(H,24,26)
InChIKeyWLMQWGKJPSXGSJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.57
Rot. Bonds4

About 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide

7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide (PubChem CID 137363252) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide
PubChem CID137363252
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CC2(CC(NC(=O)c3cnc4nc(C5CC5)ccc4c3)C2)C1
InChIInChI=1S/C22H27N3O2/c1-21(2,27)16-8-22(9-16)10-17(11-22)24-20(26)15-7-14-5-6-18(13-3-4-13)25-19(14)23-12-15/h5-7,12-13,16-17,27H,3-4,8-11H2,1-2H3,(H,24,26)
InChIKeyWLMQWGKJPSXGSJ-UHFFFAOYSA-N
XLogP3.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide (CID 137363252) is 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide is CC(C)(O)C1CC2(CC(NC(=O)c3cnc4nc(C5CC5)ccc4c3)C2)C1.
What is the InChIKey of 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is WLMQWGKJPSXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-21(2,27)16-8-22(9-16)10-17(11-22)24-20(26)15-7-14-5-6-18(13-3-4-13)25-19(14)23-12-15/h5-7,12-13,16-17,27H,3-4,8-11H2,1-2H3,(H,24,26).
What are the key properties of 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide?
7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137363252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).