5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile

C14H18ClN3O — CID 166217651

IUPAC5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile
SMILESCOC1(C)CC(Nc2ncc(C#N)cc2Cl)C1(C)C
InChIInChI=1S/C14H18ClN3O/c1-13(2)11(6-14(13,3)19-4)18-12-10(15)5-9(7-16)8-17-12/h5,8,11H,6H2,1-4H3,(H,17,18)
InChIKeyMMIFXUPOFYSFHE-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile

5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile (PubChem CID 166217651) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile
PubChem CID166217651
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile
SMILESCOC1(C)CC(Nc2ncc(C#N)cc2Cl)C1(C)C
InChIInChI=1S/C14H18ClN3O/c1-13(2)11(6-14(13,3)19-4)18-12-10(15)5-9(7-16)8-17-12/h5,8,11H,6H2,1-4H3,(H,17,18)
InChIKeyMMIFXUPOFYSFHE-UHFFFAOYSA-N
XLogP3.22
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
CID 95971216
methyl 3-[(3-chloro-5-cyano-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385695
6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide
CID 133341407
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
CID 95971222
5-bromo-3-chloro-N-(2,2-dimethylcyclopropyl)pyridin-2-amine
CID 103582483
tert-butyl 2-[(3-chloro-5-cyano-2-pyridinyl)amino]acetate
CID 58554110
5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129002631
5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 58554205
5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
CID 69074354
5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
CID 126954354
(5-hydroxy-2-adamantyl) 3-[(3-chloro-5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 76747223
tert-butyl (4S,5S)-4-[[(3-chloro-5-cyano-2-pyridinyl)amino]methyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 95772396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile (CID 166217651) is 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile is COC1(C)CC(Nc2ncc(C#N)cc2Cl)C1(C)C.
What is the InChIKey of 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile?
The InChIKey is MMIFXUPOFYSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-13(2)11(6-14(13,3)19-4)18-12-10(15)5-9(7-16)8-17-12/h5,8,11H,6H2,1-4H3,(H,17,18).
What are the key properties of 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile?
5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile has a molecular weight of 279.77 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 166217651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).