6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide

C20H18ClN3O4 — CID 2542311

IUPAC6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C20H18ClN3O4/c1-27-17-7-3-2-6-16(17)23-19(25)13-24(12-15-5-4-10-28-15)20(26)14-8-9-18(21)22-11-14/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyFOOHVYPYYBWNQL-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.62
Rot. Bonds7

About 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide

6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 2542311) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID2542311
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C20H18ClN3O4/c1-27-17-7-3-2-6-16(17)23-19(25)13-24(12-15-5-4-10-28-15)20(26)14-8-9-18(21)22-11-14/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyFOOHVYPYYBWNQL-UHFFFAOYSA-N
XLogP3.62
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide (CID 2542311) is 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide is COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is FOOHVYPYYBWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-27-17-7-3-2-6-16(17)23-19(25)13-24(12-15-5-4-10-28-15)20(26)14-8-9-18(21)22-11-14/h2-11H,12-13H2,1H3,(H,23,25).
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide?
6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2542311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).