6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile

C17H23N5O — CID 98788801

IUPAC6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1
InChIInChI=1S/C17H23N5O/c1-13-3-4-14(11-18)16(20-13)22-10-9-21(2)17(12-22)6-5-15(23)19-8-7-17/h3-4H,5-10,12H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeySDTMGTYTNMFMKP-QGZVFWFLSA-N
MW313.40 g/mol
LogP1.05
Rot. Bonds1

About 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile

6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile (PubChem CID 98788801) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
PubChem CID98788801
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1
InChIInChI=1S/C17H23N5O/c1-13-3-4-14(11-18)16(20-13)22-10-9-21(2)17(12-22)6-5-15(23)19-8-7-17/h3-4H,5-10,12H2,1-2H3,(H,19,23)/t17-/m1/s1
InChIKeySDTMGTYTNMFMKP-QGZVFWFLSA-N
XLogP1.05
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile
CID 72937324
(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122849
(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98807719
(6S)-1-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122145
4-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72860489
(6R)-4-(1,3-benzothiazol-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789026
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70768110
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941260
6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile
CID 56745250
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
4,6-dimethyl-2-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile
CID 70748439

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile (CID 98788801) is 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1.
What is the InChIKey of 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile?
The InChIKey is SDTMGTYTNMFMKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-3-4-14(11-18)16(20-13)22-10-9-21(2)17(12-22)6-5-15(23)19-8-7-17/h3-4H,5-10,12H2,1-2H3,(H,19,23)/t17-/m1/s1.
What are the key properties of 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile?
6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 98788801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).