3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile

C13H16ClN3O — CID 114119318

IUPAC3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
SMILESCOC1CC(Nc2nccc(C#N)c2Cl)C1(C)C
InChIInChI=1S/C13H16ClN3O/c1-13(2)9(6-10(13)18-3)17-12-11(14)8(7-15)4-5-16-12/h4-5,9-10H,6H2,1-3H3,(H,16,17)
InChIKeyVSYDELISPQIENX-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.83
Rot. Bonds3

About 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile

3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile (PubChem CID 114119318) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
PubChem CID114119318
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
SMILESCOC1CC(Nc2nccc(C#N)c2Cl)C1(C)C
InChIInChI=1S/C13H16ClN3O/c1-13(2)9(6-10(13)18-3)17-12-11(14)8(7-15)4-5-16-12/h4-5,9-10H,6H2,1-3H3,(H,16,17)
InChIKeyVSYDELISPQIENX-UHFFFAOYSA-N
XLogP2.83
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
CID 107057512
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119313
3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
CID 103742729
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 107057709
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
CID 103742782
3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one
CID 103742779
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide
CID 103742713
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carbothioamide
CID 114119402
3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile
CID 107058450
5-bromo-4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile (CID 114119318) is 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile is COC1CC(Nc2nccc(C#N)c2Cl)C1(C)C.
What is the InChIKey of 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile?
The InChIKey is VSYDELISPQIENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(2)9(6-10(13)18-3)17-12-11(14)8(7-15)4-5-16-12/h4-5,9-10H,6H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile has a molecular weight of 265.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114119318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).