6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile

C16H17N3 — CID 82119525

IUPAC6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(NC(C)C)n2)cc1
InChIInChI=1S/C16H17N3/c1-11(2)18-16-14(10-17)8-9-15(19-16)13-6-4-12(3)5-7-13/h4-9,11H,1-3H3,(H,18,19)
InChIKeyUKQQXDKDEGUIRU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.75
Rot. Bonds3

About 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile

6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 82119525) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
PubChem CID82119525
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
SMILESCc1ccc(-c2ccc(C#N)c(NC(C)C)n2)cc1
InChIInChI=1S/C16H17N3/c1-11(2)18-16-14(10-17)8-9-15(19-16)13-6-4-12(3)5-7-13/h4-9,11H,1-3H3,(H,18,19)
InChIKeyUKQQXDKDEGUIRU-UHFFFAOYSA-N
XLogP3.75
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82123088
6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82122656
2-(ethylamino)-6-(3-methylphenyl)pyridine-3-carbonitrile
CID 62196307
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
6-(4-bromophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62198237
6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252464
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62197446
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53269793
6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252649
6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82117516
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 55045417

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile (CID 82119525) is 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile is Cc1ccc(-c2ccc(C#N)c(NC(C)C)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is UKQQXDKDEGUIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(2)18-16-14(10-17)8-9-15(19-16)13-6-4-12(3)5-7-13/h4-9,11H,1-3H3,(H,18,19).
What are the key properties of 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82119525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).