4-(3-methoxy-2-pyridinyl)but-3-ynamide

C10H10N2O2 — CID 170472810

IUPAC4-(3-methoxy-2-pyridinyl)but-3-ynamide
SMILESCOc1cccnc1C#CCC(N)=O
InChIInChI=1S/C10H10N2O2/c1-14-9-5-3-7-12-8(9)4-2-6-10(11)13/h3,5,7H,6H2,1H3,(H2,11,13)
InChIKeyKPIZWSXAWMWQSV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.32
Rot. Bonds2

About 4-(3-methoxy-2-pyridinyl)but-3-ynamide

4-(3-methoxy-2-pyridinyl)but-3-ynamide (PubChem CID 170472810) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)but-3-ynamide
PubChem CID170472810
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-(3-methoxy-2-pyridinyl)but-3-ynamide
SMILESCOc1cccnc1C#CCC(N)=O
InChIInChI=1S/C10H10N2O2/c1-14-9-5-3-7-12-8(9)4-2-6-10(11)13/h3,5,7H,6H2,1H3,(H2,11,13)
InChIKeyKPIZWSXAWMWQSV-UHFFFAOYSA-N
XLogP0.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
4-(2,4-dimethoxyphenyl)but-3-ynamide
CID 170473317
4-[4-(hydroxymethyl)-3-methoxyphenyl]but-3-ynamide
CID 170473321
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
4-(2-propan-2-yloxyphenyl)but-3-ynamide
CID 170473356
4-(4-pyridin-2-ylphenyl)but-3-ynamide
CID 170473846
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
methyl 3-(4-amino-4-oxobut-1-ynyl)benzoate
CID 170473312
(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
CID 22363173
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)but-3-ynamide (CID 170472810) is 4-(3-methoxy-2-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)but-3-ynamide is COc1cccnc1C#CCC(N)=O.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)but-3-ynamide?
The InChIKey is KPIZWSXAWMWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-9-5-3-7-12-8(9)4-2-6-10(11)13/h3,5,7H,6H2,1H3,(H2,11,13).
What are the key properties of 4-(3-methoxy-2-pyridinyl)but-3-ynamide?
4-(3-methoxy-2-pyridinyl)but-3-ynamide has a molecular weight of 190.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170472810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).