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

C9H9N3O — CID 170472473

IUPAC4-(5-amino-3-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cncc(N)c1
InChIInChI=1S/C9H9N3O/c10-8-4-7(5-12-6-8)2-1-3-9(11)13/h4-6H,3,10H2,(H2,11,13)
InChIKeyWOBWQXFSSRBYHR-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.11
Rot. Bonds1

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

4-(5-amino-3-pyridinyl)but-3-ynamide (PubChem CID 170472473) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(5-amino-3-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(5-amino-3-pyridinyl)but-3-ynamide
PubChem CID170472473
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(5-amino-3-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cncc(N)c1
InChIInChI=1S/C9H9N3O/c10-8-4-7(5-12-6-8)2-1-3-9(11)13/h4-6H,3,10H2,(H2,11,13)
InChIKeyWOBWQXFSSRBYHR-UHFFFAOYSA-N
XLogP-0.11
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.11
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

4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine
CID 58476592
4-(2-fluoropyrimidin-5-yl)but-3-ynamide
CID 170472464
4-(2,6-difluoro-4-pyridinyl)but-3-ynamide
CID 170474131
5-(4-amino-4-oxobut-1-ynyl)-2-fluoropyridine-3-carboxylic acid
CID 170473449
4-(2-methoxypyrimidin-5-yl)but-3-ynamide
CID 170472712
4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
CID 170474044
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ynamide
CID 170473388
4-(4-amino-3-bromophenyl)but-3-ynamide
CID 170474119
4-(4-amino-3-nitrophenyl)but-3-ynamide
CID 170473416
4-(4-amino-3-ethylphenyl)but-3-ynamide
CID 170473064
4-(2-ethoxypyrimidin-5-yl)but-3-ynamide
CID 170473023

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(5-amino-3-pyridinyl)but-3-ynamide (CID 170472473) is 4-(5-amino-3-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(5-amino-3-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(5-amino-3-pyridinyl)but-3-ynamide is NC(=O)CC#Cc1cncc(N)c1.
What is the InChIKey of 4-(5-amino-3-pyridinyl)but-3-ynamide?
The InChIKey is WOBWQXFSSRBYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-8-4-7(5-12-6-8)2-1-3-9(11)13/h4-6H,3,10H2,(H2,11,13).
What are the key properties of 4-(5-amino-3-pyridinyl)but-3-ynamide?
4-(5-amino-3-pyridinyl)but-3-ynamide has a molecular weight of 175.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170472473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).