5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide

C12H14Cl2N2O — CID 103737222

IUPAC5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCCC1(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-12(3-4-12)7-16-11(17)8-5-9(13)10(14)15-6-8/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyHDPIGTVVZKFKPC-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.31
Rot. Bonds4

About 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 103737222) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID103737222
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCCC1(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-12(3-4-12)7-16-11(17)8-5-9(13)10(14)15-6-8/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyHDPIGTVVZKFKPC-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

6-Chloronicotinamide
CID 80456
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855
5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide
CID 29786172
5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide
CID 43236315
5,6-dichloro-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide
CID 3923546
N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 737714
6-Chloro-N-phenethyl-nicotinamide
CID 857477
N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 1244296

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide (CID 103737222) is 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide is CCC1(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is HDPIGTVVZKFKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-12(3-4-12)7-16-11(17)8-5-9(13)10(14)15-6-8/h5-6H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-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 5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103737222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).