2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide

C12H14Cl2N2O — CID 103713551

IUPAC2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
SMILESCCCC1CC1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c1-2-3-7-4-9(7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17)
InChIKeyIUYRTUJAEXXFBJ-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.31
Rot. Bonds4

About 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide

2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide (PubChem CID 103713551) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
PubChem CID103713551
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
SMILESCCCC1CC1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c1-2-3-7-4-9(7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17)
InChIKeyIUYRTUJAEXXFBJ-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 113246075
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737
2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652
3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
CID 112750965
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3-iodo-N-(2-propylcyclopropyl)benzamide
CID 103713511
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide (CID 103713551) is 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide is CCCC1CC1NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is IUYRTUJAEXXFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-3-7-4-9(7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17).
What are the key properties of 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103713551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).