2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile

C19H24N4O — CID 97151257

IUPAC2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-3-6-16(11-20)17(21-14)23-10-8-19(13-23)7-2-9-22(18(19)24)12-15-4-5-15/h3,6,15H,2,4-5,7-10,12-13H2,1H3/t19-/m0/s1
InChIKeyWPELVXUBNLOXPT-IBGZPJMESA-N
MW324.43 g/mol
LogP2.49
Rot. Bonds3

About 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile

2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 97151257) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
PubChem CID97151257
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-3-6-16(11-20)17(21-14)23-10-8-19(13-23)7-2-9-22(18(19)24)12-15-4-5-15/h3,6,15H,2,4-5,7-10,12-13H2,1H3/t19-/m0/s1
InChIKeyWPELVXUBNLOXPT-IBGZPJMESA-N
XLogP2.49
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
CID 72917334
(5R)-7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142044
7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72909219
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 97149850
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 97192168
4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile
CID 97122836
2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 97133287
(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154315
(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97145549
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
CID 107404520

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile (CID 97151257) is 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n1.
What is the InChIKey of 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is WPELVXUBNLOXPT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-3-6-16(11-20)17(21-14)23-10-8-19(13-23)7-2-9-22(18(19)24)12-15-4-5-15/h3,6,15H,2,4-5,7-10,12-13H2,1H3/t19-/m0/s1.
What are the key properties of 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile?
2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 97151257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).