6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C13H13ClN2O2 — CID 60738011

IUPAC6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O2/c1-2-16(9-11-4-3-7-18-11)13(17)10-5-6-12(14)15-8-10/h3-8H,2,9H2,1H3
InChIKeyYFVOUTKSBPCLML-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.99
Rot. Bonds4

About 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide

6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 60738011) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID60738011
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O2/c1-2-16(9-11-4-3-7-18-11)13(17)10-5-6-12(14)15-8-10/h3-8H,2,9H2,1H3
InChIKeyYFVOUTKSBPCLML-UHFFFAOYSA-N
XLogP2.99
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
2-amino-N-ethyl-N-(furan-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349536
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81093317
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 47024404

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 60738011) is 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide is CCN(Cc1ccco1)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YFVOUTKSBPCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-16(9-11-4-3-7-18-11)13(17)10-5-6-12(14)15-8-10/h3-8H,2,9H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 60738011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).