N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide

C23H23N3O — CID 162483580

IUPACN-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CC12CCC(c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H23N3O/c27-22(26-17-4-3-12-24-15-17)20-14-23(20)10-7-16(8-11-23)18-9-13-25-21-6-2-1-5-19(18)21/h1-6,9,12-13,15-16,20H,7-8,10-11,14H2,(H,26,27)
InChIKeyVIGCHCXFHXUXBB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.93
Rot. Bonds3

About N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide

N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide (PubChem CID 162483580) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
PubChem CID162483580
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CC12CCC(c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H23N3O/c27-22(26-17-4-3-12-24-15-17)20-14-23(20)10-7-16(8-11-23)18-9-13-25-21-6-2-1-5-19(18)21/h1-6,9,12-13,15-16,20H,7-8,10-11,14H2,(H,26,27)
InChIKeyVIGCHCXFHXUXBB-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide (CID 162483580) is N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide is O=C(Nc1cccnc1)C1CC12CCC(c1ccnc3ccccc13)CC2.
What is the InChIKey of N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The InChIKey is VIGCHCXFHXUXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-22(26-17-4-3-12-24-15-17)20-14-23(20)10-7-16(8-11-23)18-9-13-25-21-6-2-1-5-19(18)21/h1-6,9,12-13,15-16,20H,7-8,10-11,14H2,(H,26,27).
What are the key properties of N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 162483580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).