4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile

C10H11N3 — CID 170799339

IUPAC4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
SMILESCc1cc(N)ncc1C=CCC#N
InChIInChI=1S/C10H11N3/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3H2,1H3,(H2,12,13)
InChIKeyNNZGNUNTYAQPHD-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.90
Rot. Bonds2

About 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile

4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile (PubChem CID 170799339) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
PubChem CID170799339
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
SMILESCc1cc(N)ncc1C=CCC#N
InChIInChI=1S/C10H11N3/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3H2,1H3,(H2,12,13)
InChIKeyNNZGNUNTYAQPHD-UHFFFAOYSA-N
XLogP1.90
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-amino-4-methyl-3-pyridinyl)but-3-enal
CID 170481525
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
CID 170498810
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-(5-amino-2-chloro-3-pyridinyl)but-3-enenitrile
CID 170799310
4-(4-bromo-2-methylphenyl)but-3-enenitrile
CID 170800723
5-(3-cyanoprop-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170799631
methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800288
(E)-4-(2,5-dimethylphenyl)but-3-enenitrile
CID 83695516
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170800033
5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane
CID 143643796
4-(3-amino-4-pyridinyl)but-3-enenitrile
CID 170799112

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile?
The IUPAC name of 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile (CID 170799339) is 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile.
What is the SMILES notation for 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile?
The canonical SMILES for 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile is Cc1cc(N)ncc1C=CCC#N.
What is the InChIKey of 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile?
The InChIKey is NNZGNUNTYAQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3H2,1H3,(H2,12,13).
What are the key properties of 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile?
4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile has a molecular weight of 173.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile is sourced from PubChem (CID 170799339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).