ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile

C14H19N3 — CID 142393059

IUPACethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile
SMILESCC.CC#CCCNc1cc(C)ncc1C#N
InChIInChI=1S/C12H13N3.C2H6/c1-3-4-5-6-14-12-7-10(2)15-9-11(12)8-13;1-2/h7,9H,5-6H2,1-2H3,(H,14,15);1-2H3
InChIKeyYPEGHTATCAKMNN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.11
Rot. Bonds3

About ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile

ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile (PubChem CID 142393059) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile
PubChem CID142393059
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Nameethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile
SMILESCC.CC#CCCNc1cc(C)ncc1C#N
InChIInChI=1S/C12H13N3.C2H6/c1-3-4-5-6-14-12-7-10(2)15-9-11(12)8-13;1-2/h7,9H,5-6H2,1-2H3,(H,14,15);1-2H3
InChIKeyYPEGHTATCAKMNN-UHFFFAOYSA-N
XLogP3.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile
CID 131203943
3-nitro-4-(pent-3-ynylamino)benzonitrile
CID 115978097
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591
4-(diethylamino)-6-methylpyridine-3-carbonitrile
CID 82375941
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
5-amino-2-methylpyridine-4-carbonitrile
CID 82593829
5-bromo-2-nitro-N-pent-3-ynylaniline
CID 116644467
2-ethyl-N-pent-3-ynylaniline
CID 104744087
ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 142280419

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile?
The IUPAC name of ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile (CID 142393059) is ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile.
What is the SMILES notation for ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile?
The canonical SMILES for ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile is CC.CC#CCCNc1cc(C)ncc1C#N.
What is the InChIKey of ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile?
The InChIKey is YPEGHTATCAKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.C2H6/c1-3-4-5-6-14-12-7-10(2)15-9-11(12)8-13;1-2/h7,9H,5-6H2,1-2H3,(H,14,15);1-2H3.
What are the key properties of ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile?
ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-4-(pent-3-ynylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 142393059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).