5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C17H13Cl2N3O2 — CID 52558245

IUPAC5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cnc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H13Cl2N3O2/c18-15-7-13(9-21-16(15)19)17(23)22(11-14-4-2-6-24-14)10-12-3-1-5-20-8-12/h1-9H,10-11H2
InChIKeyKNEIMHHRCAJBIC-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.22
Rot. Bonds5

About 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 52558245) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID52558245
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cnc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H13Cl2N3O2/c18-15-7-13(9-21-16(15)19)17(23)22(11-14-4-2-6-24-14)10-12-3-1-5-20-8-12/h1-9H,10-11H2
InChIKeyKNEIMHHRCAJBIC-UHFFFAOYSA-N
XLogP4.22
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99181571
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792
4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 112812157
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78843575
4-(1,3-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 78843585
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 112812140
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75868911
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 52558245) is 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(c1cnc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KNEIMHHRCAJBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-15-7-13(9-21-16(15)19)17(23)22(11-14-4-2-6-24-14)10-12-3-1-5-20-8-12/h1-9H,10-11H2.
What are the key properties of 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 52558245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).