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

C23H23N3O — CID 154608413

IUPAC2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
SMILESNC(=O)C1(c2cccnc2)CC12CCC(c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H23N3O/c24-21(27)23(17-4-3-12-25-14-17)15-22(23)10-7-16(8-11-22)18-9-13-26-20-6-2-1-5-19(18)20/h1-6,9,12-14,16H,7-8,10-11,15H2,(H2,24,27)
InChIKeySRSNBTDNJRDBHV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.10
Rot. Bonds3

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

2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide (PubChem CID 154608413) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
PubChem CID154608413
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
SMILESNC(=O)C1(c2cccnc2)CC12CCC(c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H23N3O/c24-21(27)23(17-4-3-12-25-14-17)15-22(23)10-7-16(8-11-22)18-9-13-26-20-6-2-1-5-19(18)20/h1-6,9,12-14,16H,7-8,10-11,15H2,(H2,24,27)
InChIKeySRSNBTDNJRDBHV-UHFFFAOYSA-N
XLogP4.10
TPSA68.87 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The IUPAC name of 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide (CID 154608413) is 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide is NC(=O)C1(c2cccnc2)CC12CCC(c1ccnc3ccccc13)CC2.
What is the InChIKey of 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The InChIKey is SRSNBTDNJRDBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c24-21(27)23(17-4-3-12-25-14-17)15-22(23)10-7-16(8-11-22)18-9-13-26-20-6-2-1-5-19(18)20/h1-6,9,12-14,16H,7-8,10-11,15H2,(H2,24,27).
What are the key properties of 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 154608413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).