1-prop-2-ynyl-2H-pyridine-5-carboxamide

C9H10N2O — CID 57136019

IUPAC1-prop-2-ynyl-2H-pyridine-5-carboxamide
SMILESC#CCN1C=C(C(N)=O)C=CC1
InChIInChI=1S/C9H10N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h1,3-4,7H,5-6H2,(H2,10,12)
InChIKeyJJMHIKJGBWMVPB-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.14
Rot. Bonds2

About 1-prop-2-ynyl-2H-pyridine-5-carboxamide

1-prop-2-ynyl-2H-pyridine-5-carboxamide (PubChem CID 57136019) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-prop-2-ynyl-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-prop-2-ynyl-2H-pyridine-5-carboxamide
PubChem CID57136019
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-prop-2-ynyl-2H-pyridine-5-carboxamide
SMILESC#CCN1C=C(C(N)=O)C=CC1
InChIInChI=1S/C9H10N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h1,3-4,7H,5-6H2,(H2,10,12)
InChIKeyJJMHIKJGBWMVPB-UHFFFAOYSA-N
XLogP-0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-2H-pyridine-5-carboxamide?
The IUPAC name of 1-prop-2-ynyl-2H-pyridine-5-carboxamide (CID 57136019) is 1-prop-2-ynyl-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-prop-2-ynyl-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-prop-2-ynyl-2H-pyridine-5-carboxamide is C#CCN1C=C(C(N)=O)C=CC1.
What is the InChIKey of 1-prop-2-ynyl-2H-pyridine-5-carboxamide?
The InChIKey is JJMHIKJGBWMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h1,3-4,7H,5-6H2,(H2,10,12).
What are the key properties of 1-prop-2-ynyl-2H-pyridine-5-carboxamide?
1-prop-2-ynyl-2H-pyridine-5-carboxamide has a molecular weight of 162.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-2H-pyridine-5-carboxamide is sourced from PubChem (CID 57136019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).