2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide

C14H14Cl2N2O3 — CID 60706210

IUPAC2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O3/c15-12-7-10(8-13(16)18-12)14(19)17-4-2-5-20-9-11-3-1-6-21-11/h1,3,6-8H,2,4-5,9H2,(H,17,19)
InChIKeyYZTYAAAVMBVBQR-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.32
Rot. Bonds7

About 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide

2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide (PubChem CID 60706210) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
PubChem CID60706210
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O3/c15-12-7-10(8-13(16)18-12)14(19)17-4-2-5-20-9-11-3-1-6-21-11/h1,3,6-8H,2,4-5,9H2,(H,17,19)
InChIKeyYZTYAAAVMBVBQR-UHFFFAOYSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
CID 86989821
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide (CID 60706210) is 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide is O=C(NCCCOCc1ccco1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide?
The InChIKey is YZTYAAAVMBVBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c15-12-7-10(8-13(16)18-12)14(19)17-4-2-5-20-9-11-3-1-6-21-11/h1,3,6-8H,2,4-5,9H2,(H,17,19).
What are the key properties of 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide?
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 60706210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).