6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile

C22H24N4O — CID 126452632

IUPAC6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
SMILESC[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1
InChIInChI=1S/C22H24N4O/c1-16-5-2-3-12-26(16)20-14-25(15-20)22(27)18-10-8-17(9-11-18)21-7-4-6-19(13-23)24-21/h4,6-11,16,20H,2-3,5,12,14-15H2,1H3/t16-/m1/s1
InChIKeyNVMSJYRMYMRLRC-MRXNPFEDSA-N
MW360.46 g/mol
LogP3.32
Rot. Bonds3

About 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile

6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile (PubChem CID 126452632) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
PubChem CID126452632
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
SMILESC[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1
InChIInChI=1S/C22H24N4O/c1-16-5-2-3-12-26(16)20-14-25(15-20)22(27)18-10-8-17(9-11-18)21-7-4-6-19(13-23)24-21/h4,6-11,16,20H,2-3,5,12,14-15H2,1H3/t16-/m1/s1
InChIKeyNVMSJYRMYMRLRC-MRXNPFEDSA-N
XLogP3.32
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 119067455
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 164699560
[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]phenyl]-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 126435260
formic acid;[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 171317439
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690
2-(4-methylphenyl)-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97141903
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97155188
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 77087976
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile (CID 126452632) is 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile is C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1.
What is the InChIKey of 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile?
The InChIKey is NVMSJYRMYMRLRC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-5-2-3-12-26(16)20-14-25(15-20)22(27)18-10-8-17(9-11-18)21-7-4-6-19(13-23)24-21/h4,6-11,16,20H,2-3,5,12,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile?
6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 126452632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).