3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide

C15H10Cl2N2O — CID 47144055

IUPAC3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
SMILESO=C(NCC#Cc1ccccc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-12-8-9-13(17)19-14(12)15(20)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,10H2,(H,18,20)
InChIKeyHWQYWIFUROYUNB-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.17
Rot. Bonds2

About 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide

3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide (PubChem CID 47144055) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
PubChem CID47144055
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
SMILESO=C(NCC#Cc1ccccc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-12-8-9-13(17)19-14(12)15(20)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,10H2,(H,18,20)
InChIKeyHWQYWIFUROYUNB-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 78836902
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
3,6-dichloro-N-(1,1-diphenylethyl)pyridine-2-carboxamide
CID 56522893
3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
CID 23566710
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-chlorobenzamide
CID 90549491
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide (CID 47144055) is 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide is O=C(NCC#Cc1ccccc1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
The InChIKey is HWQYWIFUROYUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-12-8-9-13(17)19-14(12)15(20)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,10H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide has a molecular weight of 305.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 47144055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).