2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile

C13H17N3O2 — CID 107389733

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C13H17N3O2/c1-9-4-10(6-14)5-12(16-9)15-7-11-8-17-13(2,3)18-11/h4-5,11H,7-8H2,1-3H3,(H,15,16)
InChIKeyAFTZJLIEDJNBIY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.83
Rot. Bonds3

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 107389733) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile
PubChem CID107389733
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C13H17N3O2/c1-9-4-10(6-14)5-12(16-9)15-7-11-8-17-13(2,3)18-11/h4-5,11H,7-8H2,1-3H3,(H,15,16)
InChIKeyAFTZJLIEDJNBIY-UHFFFAOYSA-N
XLogP1.83
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
CID 106196952
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107389737
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine
CID 114156920
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine
CID 114156912
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 106196975
5-bromo-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]benzonitrile
CID 107389663
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 107389192
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 104772344
2-chloro-5-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonamide
CID 107389862
4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline
CID 66817886
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
CID 104772350
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-5-nitroaniline
CID 107389634

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile (CID 107389733) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NCC2COC(C)(C)O2)n1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is AFTZJLIEDJNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-10(6-14)5-12(16-9)15-7-11-8-17-13(2,3)18-11/h4-5,11H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 107389733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).