4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide

C10H11N3O — CID 170472675

IUPAC4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
SMILESCc1cc(C#CCC(N)=O)cnc1N
InChIInChI=1S/C10H11N3O/c1-7-5-8(6-13-10(7)12)3-2-4-9(11)14/h5-6H,4H2,1H3,(H2,11,14)(H2,12,13)
InChIKeyFAQPZCSJJINVBU-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.20
Rot. Bonds1

About 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide

4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide (PubChem CID 170472675) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
PubChem CID170472675
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
SMILESCc1cc(C#CCC(N)=O)cnc1N
InChIInChI=1S/C10H11N3O/c1-7-5-8(6-13-10(7)12)3-2-4-9(11)14/h5-6H,4H2,1H3,(H2,11,14)(H2,12,13)
InChIKeyFAQPZCSJJINVBU-UHFFFAOYSA-N
XLogP0.20
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-amino-4-oxobut-1-ynyl)-2-fluoropyridine-3-carboxylic acid
CID 170473449
4-(5-amino-3-pyridinyl)but-3-ynamide
CID 170472473
4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
CID 170473161
4-(2-fluoropyrimidin-5-yl)but-3-ynamide
CID 170472464
4-(2-methoxypyrimidin-5-yl)but-3-ynamide
CID 170472712
4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
CID 170472760
4-(2-ethoxypyrimidin-5-yl)but-3-ynamide
CID 170473023
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ynamide
CID 170473388
4-(4-amino-3-methyl-5-nitrophenyl)but-3-ynamide
CID 170473664
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123
4-(4,5-diamino-2-methylphenyl)but-3-ynamide
CID 170472996
4-(3,5-dimethoxyphenyl)but-3-ynamide
CID 170473319

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide (CID 170472675) is 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide is Cc1cc(C#CCC(N)=O)cnc1N.
What is the InChIKey of 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide?
The InChIKey is FAQPZCSJJINVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-5-8(6-13-10(7)12)3-2-4-9(11)14/h5-6H,4H2,1H3,(H2,11,14)(H2,12,13).
What are the key properties of 4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide?
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide has a molecular weight of 189.22 g/mol, XLogP of 0.20, 1 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-ynamide is sourced from PubChem (CID 170472675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).