5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide

C18H13Cl2N3O3 — CID 51283905

IUPAC5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O3/c19-14-8-11(9-21-16(14)20)17(24)23-15-6-2-1-5-13(15)18(25)22-10-12-4-3-7-26-12/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyDXWJBYLQWDWUDH-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.16
Rot. Bonds5

About 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 51283905) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID51283905
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O3/c19-14-8-11(9-21-16(14)20)17(24)23-15-6-2-1-5-13(15)18(25)22-10-12-4-3-7-26-12/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyDXWJBYLQWDWUDH-UHFFFAOYSA-N
XLogP4.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 100711529
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 9201730
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 51283905) is 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is DXWJBYLQWDWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c19-14-8-11(9-21-16(14)20)17(24)23-15-6-2-1-5-13(15)18(25)22-10-12-4-3-7-26-12/h1-9H,10H2,(H,22,25)(H,23,24).
What are the key properties of 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 390.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51283905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).