2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile

C11H11N3 — CID 114766702

IUPAC2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
SMILESC#CC(C)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C11H11N3/c1-4-8(2)13-11-6-10(7-12)5-9(3)14-11/h1,5-6,8H,2-3H3,(H,13,14)
InChIKeyNZTFGEYSNNRUQI-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.70
Rot. Bonds2

About 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile

2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile (PubChem CID 114766702) 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-4-carbonitrile.

Molecular Properties

Compound Name2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
PubChem CID114766702
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
SMILESC#CC(C)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C11H11N3/c1-4-8(2)13-11-6-10(7-12)5-9(3)14-11/h1,5-6,8H,2-3H3,(H,13,14)
InChIKeyNZTFGEYSNNRUQI-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-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile
CID 114766321
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114770189
2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
CID 166248410
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 114766588
2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
CID 114766247

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile (CID 114766702) is 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile is C#CC(C)Nc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile?
The InChIKey is NZTFGEYSNNRUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-4-8(2)13-11-6-10(7-12)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-4-carbonitrile?
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-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-4-carbonitrile is sourced from PubChem (CID 114766702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).