4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile

C16H25N3 — CID 102906163

IUPAC4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H25N3/c1-10(2)15(11(3)4)9-18-16-14(8-17)12(5)7-13(6)19-16/h7,10-11,15H,9H2,1-6H3,(H,18,19)
InChIKeyGFWFAMBMMUMYCL-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.91
Rot. Bonds5

About 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile

4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile (PubChem CID 102906163) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
PubChem CID102906163
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H25N3/c1-10(2)15(11(3)4)9-18-16-14(8-17)12(5)7-13(6)19-16/h7,10-11,15H,9H2,1-6H3,(H,18,19)
InChIKeyGFWFAMBMMUMYCL-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
4,6-dimethyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 62992143
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616324
4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]pentanoic acid
CID 81065386
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 124670806

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile (CID 102906163) is 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile?
The InChIKey is GFWFAMBMMUMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-10(2)15(11(3)4)9-18-16-14(8-17)12(5)7-13(6)19-16/h7,10-11,15H,9H2,1-6H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile has a molecular weight of 259.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 102906163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).