2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide

C14H11Cl2N3O2 — CID 114917928

IUPAC2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-12-8-18-13(16)7-11(12)14(20)19(5-2-4-17)9-10-3-1-6-21-10/h1,3,6-8H,2,5,9H2
InChIKeyYZHVAJOVMYIQDJ-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.54
Rot. Bonds5

About 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide

2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 114917928) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID114917928
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-12-8-18-13(16)7-11(12)14(20)19(5-2-4-17)9-10-3-1-6-21-10/h1,3,6-8H,2,5,9H2
InChIKeyYZHVAJOVMYIQDJ-UHFFFAOYSA-N
XLogP3.54
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
2-(2-chloro-4-cyanophenoxy)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 8977371
4-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 60701981
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide (CID 114917928) is 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide is N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is YZHVAJOVMYIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-12-8-18-13(16)7-11(12)14(20)19(5-2-4-17)9-10-3-1-6-21-10/h1,3,6-8H,2,5,9H2.
What are the key properties of 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).