5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide

C12H10Cl2N2O2 — CID 43399464

IUPAC5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C12H10Cl2N2O2/c1-7(10-3-2-4-18-10)16-12(17)8-5-9(13)11(14)15-6-8/h2-7H,1H3,(H,16,17)
InChIKeyLISVGRPGALKFDO-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.47
Rot. Bonds3

About 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 43399464) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID43399464
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C12H10Cl2N2O2/c1-7(10-3-2-4-18-10)16-12(17)8-5-9(13)11(14)15-6-8/h2-7H,1H3,(H,16,17)
InChIKeyLISVGRPGALKFDO-UHFFFAOYSA-N
XLogP3.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25497251
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18132141

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide (CID 43399464) is 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cnc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is LISVGRPGALKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7(10-3-2-4-18-10)16-12(17)8-5-9(13)11(14)15-6-8/h2-7H,1H3,(H,16,17).
What are the key properties of 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 43399464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).