N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide

C16H14N2O2 — CID 556133

IUPACN-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESCOCC#Cc1ccccc1NC(=O)c1ccccn1
InChIInChI=1S/C16H14N2O2/c1-20-12-6-8-13-7-2-3-9-14(13)18-16(19)15-10-4-5-11-17-15/h2-5,7,9-11H,12H2,1H3,(H,18,19)
InChIKeyFLCGVXRSDMDWRC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide

N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide (PubChem CID 556133) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
PubChem CID556133
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESCOCC#Cc1ccccc1NC(=O)c1ccccn1
InChIInChI=1S/C16H14N2O2/c1-20-12-6-8-13-7-2-3-9-14(13)18-16(19)15-10-4-5-11-17-15/h2-5,7,9-11H,12H2,1H3,(H,18,19)
InChIKeyFLCGVXRSDMDWRC-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide (CID 556133) is N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide is COCC#Cc1ccccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The InChIKey is FLCGVXRSDMDWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-6-8-13-7-2-3-9-14(13)18-16(19)15-10-4-5-11-17-15/h2-5,7,9-11H,12H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 556133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).