2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile

C11H11N3 — CID 114417379

IUPAC2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
SMILESC#CC(C)Nc1nc(C)ccc1C#N
InChIInChI=1S/C11H11N3/c1-4-8(2)13-11-10(7-12)6-5-9(3)14-11/h1,5-6,8H,2-3H3,(H,13,14)
InChIKeyXIARGHSJRSPVST-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.70
Rot. Bonds2

About 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile

2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 114417379) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
PubChem CID114417379
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
SMILESC#CC(C)Nc1nc(C)ccc1C#N
InChIInChI=1S/C11H11N3/c1-4-8(2)13-11-10(7-12)6-5-9(3)14-11/h1,5-6,8H,2-3H3,(H,13,14)
InChIKeyXIARGHSJRSPVST-UHFFFAOYSA-N
XLogP1.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile
CID 62405601
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile
CID 106186270
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
N-(3-cyano-6-methyl-2-pyridinyl)acetamide
CID 130007246
2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile
CID 65193804
2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
CID 106794912
2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile
CID 79106585
2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
CID 55135561
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82119525
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile (CID 114417379) is 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile is C#CC(C)Nc1nc(C)ccc1C#N.
What is the InChIKey of 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is XIARGHSJRSPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-4-8(2)13-11-10(7-12)6-5-9(3)14-11/h1,5-6,8H,2-3H3,(H,13,14).
What are the key properties of 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile?
2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 114417379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).