4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile

C16H17N3 — CID 32677882

IUPAC4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ccccc2)n1
InChIInChI=1S/C16H17N3/c1-12-10-13(2)19-16(15(12)11-17)18-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyBXWNSVCIQZNINM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.22
Rot. Bonds4

About 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile

4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile (PubChem CID 32677882) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
PubChem CID32677882
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ccccc2)n1
InChIInChI=1S/C16H17N3/c1-12-10-13(2)19-16(15(12)11-17)18-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyBXWNSVCIQZNINM-UHFFFAOYSA-N
XLogP3.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078
2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 62500425
2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 43395438
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395
2-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 78898863
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile (CID 32677882) is 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
The InChIKey is BXWNSVCIQZNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-10-13(2)19-16(15(12)11-17)18-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 32677882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).