3-amino-N-prop-2-ynoxypyridine-2-carboxamide

C9H9N3O2 — CID 130632587

IUPAC3-amino-N-prop-2-ynoxypyridine-2-carboxamide
SMILESC#CCONC(=O)c1ncccc1N
InChIInChI=1S/C9H9N3O2/c1-2-6-14-12-9(13)8-7(10)4-3-5-11-8/h1,3-5H,6,10H2,(H,12,13)
InChIKeyJZWDAEGMJUBDLG-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.04
Rot. Bonds3

About 3-amino-N-prop-2-ynoxypyridine-2-carboxamide

3-amino-N-prop-2-ynoxypyridine-2-carboxamide (PubChem CID 130632587) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-amino-N-prop-2-ynoxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-prop-2-ynoxypyridine-2-carboxamide
PubChem CID130632587
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-amino-N-prop-2-ynoxypyridine-2-carboxamide
SMILESC#CCONC(=O)c1ncccc1N
InChIInChI=1S/C9H9N3O2/c1-2-6-14-12-9(13)8-7(10)4-3-5-11-8/h1,3-5H,6,10H2,(H,12,13)
InChIKeyJZWDAEGMJUBDLG-UHFFFAOYSA-N
XLogP-0.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methoxypyridine-2-carboxamide;O-methylhydroxylamine;hydrochloride
CID 158937226
1-(3-amino-2-pyridinyl)pent-4-yn-1-one
CID 116613875
3-amino-N-cyanopyridine-2-carboxamide
CID 104742532
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
ethyl 3-aminopyridine-2-carboxylate
CID 565054
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-prop-2-ynoxypyridine-2-carboxamide?
The IUPAC name of 3-amino-N-prop-2-ynoxypyridine-2-carboxamide (CID 130632587) is 3-amino-N-prop-2-ynoxypyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-prop-2-ynoxypyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-prop-2-ynoxypyridine-2-carboxamide is C#CCONC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-prop-2-ynoxypyridine-2-carboxamide?
The InChIKey is JZWDAEGMJUBDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-6-14-12-9(13)8-7(10)4-3-5-11-8/h1,3-5H,6,10H2,(H,12,13).
What are the key properties of 3-amino-N-prop-2-ynoxypyridine-2-carboxamide?
3-amino-N-prop-2-ynoxypyridine-2-carboxamide has a molecular weight of 191.19 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-ynoxypyridine-2-carboxamide is sourced from PubChem (CID 130632587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).