4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol

C10H14N2O — CID 170476193

IUPAC4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
SMILESCc1cc(C=CCCO)cnc1N
InChIInChI=1S/C10H14N2O/c1-8-6-9(4-2-3-5-13)7-12-10(8)11/h2,4,6-7,13H,3,5H2,1H3,(H2,11,12)
InChIKeyIBIBLHGNJBPUCZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.37
Rot. Bonds3

About 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol

4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol (PubChem CID 170476193) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
PubChem CID170476193
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
SMILESCc1cc(C=CCCO)cnc1N
InChIInChI=1S/C10H14N2O/c1-8-6-9(4-2-3-5-13)7-12-10(8)11/h2,4,6-7,13H,3,5H2,1H3,(H2,11,12)
InChIKeyIBIBLHGNJBPUCZ-UHFFFAOYSA-N
XLogP1.37
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(E)-2-phenylethenyl]pyridin-2-amine
CID 50968857
3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
CID 170476900
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
CID 170476275
2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol
CID 170495435
(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol
CID 134541607
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897
2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
CID 170476499
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 170476550
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
CID 170476886

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol?
The IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol (CID 170476193) is 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol.
What is the SMILES notation for 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol?
The canonical SMILES for 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol is Cc1cc(C=CCCO)cnc1N.
What is the InChIKey of 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol?
The InChIKey is IBIBLHGNJBPUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-9(4-2-3-5-13)7-12-10(8)11/h2,4,6-7,13H,3,5H2,1H3,(H2,11,12).
What are the key properties of 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol?
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol is sourced from PubChem (CID 170476193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).