(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide

C23H23N3O — CID 155011627

IUPAC(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1CC12CCC(c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H23N3O/c27-22(26-21-7-3-4-13-25-21)19-15-23(19)11-8-16(9-12-23)17-10-14-24-20-6-2-1-5-18(17)20/h1-7,10,13-14,16,19H,8-9,11-12,15H2,(H,25,26,27)/t16?,19-,23?/m1/s1
InChIKeyCMENBAYYEBQINL-VCDSYBKSSA-N
MW357.46 g/mol
LogP4.93
Rot. Bonds3

About (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide

(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide (PubChem CID 155011627) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
PubChem CID155011627
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1CC12CCC(c1ccnc3ccccc13)CC2
InChIInChI=1S/C23H23N3O/c27-22(26-21-7-3-4-13-25-21)19-15-23(19)11-8-16(9-12-23)17-10-14-24-20-6-2-1-5-18(17)20/h1-7,10,13-14,16,19H,8-9,11-12,15H2,(H,25,26,27)/t16?,19-,23?/m1/s1
InChIKeyCMENBAYYEBQINL-VCDSYBKSSA-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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Related Compounds

N-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 162483580
(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173
(2S)-N-(6-chloro-3-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 147211398
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
4-cyclopentylquinoline
CID 57273226
4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
CID 142578317
N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
CID 156757393
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 158812272
(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375
N-(4-fluorophenyl)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 154608413

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide (CID 155011627) is (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide is O=C(Nc1ccccn1)[C@H]1CC12CCC(c1ccnc3ccccc13)CC2.
What is the InChIKey of (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
The InChIKey is CMENBAYYEBQINL-VCDSYBKSSA-N. The full InChI is InChI=1S/C23H23N3O/c27-22(26-21-7-3-4-13-25-21)19-15-23(19)11-8-16(9-12-23)17-10-14-24-20-6-2-1-5-18(17)20/h1-7,10,13-14,16,19H,8-9,11-12,15H2,(H,25,26,27)/t16?,19-,23?/m1/s1.
What are the key properties of (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide?
(2S)-N-pyridin-2-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 (2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 155011627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).