6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

C22H24ClN3O2 — CID 154579463

IUPAC6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESO=C(NCc1ccccn1)C1CN(C(=O)Cc2ccccc2Cl)CC12CCC2
InChIInChI=1S/C22H24ClN3O2/c23-19-8-2-1-6-16(19)12-20(27)26-14-18(22(15-26)9-5-10-22)21(28)25-13-17-7-3-4-11-24-17/h1-4,6-8,11,18H,5,9-10,12-15H2,(H,25,28)
InChIKeyWGDPWXCPANLEPL-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.22
Rot. Bonds5

About 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579463) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579463
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESO=C(NCc1ccccn1)C1CN(C(=O)Cc2ccccc2Cl)CC12CCC2
InChIInChI=1S/C22H24ClN3O2/c23-19-8-2-1-6-16(19)12-20(27)26-14-18(22(15-26)9-5-10-22)21(28)25-13-17-7-3-4-11-24-17/h1-4,6-8,11,18H,5,9-10,12-15H2,(H,25,28)
InChIKeyWGDPWXCPANLEPL-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
CID 155880870
6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579484
6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881492
N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 154579514
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42484153
6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579491
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
2-(2-chlorophenyl)-1-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 72916775
2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride
CID 146064641
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
2-(2-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 91924702

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579463) is 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is O=C(NCc1ccccn1)C1CN(C(=O)Cc2ccccc2Cl)CC12CCC2.
What is the InChIKey of 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is WGDPWXCPANLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-8-2-1-6-16(19)12-20(27)26-14-18(22(15-26)9-5-10-22)21(28)25-13-17-7-3-4-11-24-17/h1-4,6-8,11,18H,5,9-10,12-15H2,(H,25,28).
What are the key properties of 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).