6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile

C17H19N3 — CID 82122656

IUPAC6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCCC(C)c1ccc(-c2ccc(C#N)c(NC)n2)cc1
InChIInChI=1S/C17H19N3/c1-4-12(2)13-5-7-14(8-6-13)16-10-9-15(11-18)17(19-3)20-16/h5-10,12H,4H2,1-3H3,(H,19,20)
InChIKeyPIIHPGYCMQRCBX-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.18
Rot. Bonds4

About 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile

6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 82122656) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID82122656
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCCC(C)c1ccc(-c2ccc(C#N)c(NC)n2)cc1
InChIInChI=1S/C17H19N3/c1-4-12(2)13-5-7-14(8-6-13)16-10-9-15(11-18)17(19-3)20-16/h5-10,12H,4H2,1-3H3,(H,19,20)
InChIKeyPIIHPGYCMQRCBX-UHFFFAOYSA-N
XLogP4.18
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 55045417
4-(4-butan-2-ylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894881
4-(4-butan-2-ylphenyl)-1,3-thiazole-2-carbonitrile
CID 116966177
6-(4-bromophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62198237
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62197446
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82117516
6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82119525
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 82119162
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2-(methylamino)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 62196464
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 82122656) is 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile is CCC(C)c1ccc(-c2ccc(C#N)c(NC)n2)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is PIIHPGYCMQRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-12(2)13-5-7-14(8-6-13)16-10-9-15(11-18)17(19-3)20-16/h5-10,12H,4H2,1-3H3,(H,19,20).
What are the key properties of 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82122656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).