6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile

C12H13F2N3 — CID 163319578

IUPAC6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CC(F)(F)C2)nc(C)c1C#N
InChIInChI=1S/C12H13F2N3/c1-7-3-11(16-8(2)10(7)6-15)17-9-4-12(13,14)5-9/h3,9H,4-5H2,1-2H3,(H,16,17)
InChIKeyNFHYIAWVAKYBID-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.78
Rot. Bonds2

About 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile

6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 163319578) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID163319578
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CC(F)(F)C2)nc(C)c1C#N
InChIInChI=1S/C12H13F2N3/c1-7-3-11(16-8(2)10(7)6-15)17-9-4-12(13,14)5-9/h3,9H,4-5H2,1-2H3,(H,16,17)
InChIKeyNFHYIAWVAKYBID-UHFFFAOYSA-N
XLogP2.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
CID 162636895
4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile
CID 174335947
N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596316
6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile
CID 163311498
6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]-2,4-dimethylpyridine-3-carbonitrile;dihydrochloride
CID 154910874
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
6-bromo-2,4-dimethylpyridine-3-carbonitrile
CID 130825112
methyl 4-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoate
CID 123856199
6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile
CID 142469626
6-ethyl-2,4-dimethylpyridine-3-carbonitrile
CID 88990253
2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile
CID 131014317
6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile
CID 125446747

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile (CID 163319578) is 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CC(F)(F)C2)nc(C)c1C#N.
What is the InChIKey of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is NFHYIAWVAKYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-3-11(16-8(2)10(7)6-15)17-9-4-12(13,14)5-9/h3,9H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 237.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 163319578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).