2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide

C14H15ClN2O2 — CID 47443000

IUPAC2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccnc(Cl)c2)c(C)o1
InChIInChI=1S/C14H15ClN2O2/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-16-13(15)7-11/h4-7,9H,1-3H3,(H,17,18)
InChIKeyQBMTZEYMQAAVDR-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide

2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 47443000) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID47443000
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccnc(Cl)c2)c(C)o1
InChIInChI=1S/C14H15ClN2O2/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-16-13(15)7-11/h4-7,9H,1-3H3,(H,17,18)
InChIKeyQBMTZEYMQAAVDR-UHFFFAOYSA-N
XLogP3.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.44
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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62175393
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175226
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 55257306
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrazin-2-yloxybenzamide
CID 126767088
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
CID 55592587
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide (CID 47443000) is 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide is Cc1cc(C(C)NC(=O)c2ccnc(Cl)c2)c(C)o1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is QBMTZEYMQAAVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-16-13(15)7-11/h4-7,9H,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide?
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 47443000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).