5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C19H18ClN3O4 — CID 109187638

IUPAC5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCc3ccco3)nc2)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O4/c1-25-17-9-16(18(26-2)8-14(17)20)23-12-5-6-15(21-10-12)19(24)22-11-13-4-3-7-27-13/h3-10,23H,11H2,1-2H3,(H,22,24)
InChIKeyFVYBJXGILJCIID-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.02
Rot. Bonds7

About 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109187638) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109187638
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCc3ccco3)nc2)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O4/c1-25-17-9-16(18(26-2)8-14(17)20)23-12-5-6-15(21-10-12)19(24)22-11-13-4-3-7-27-13/h3-10,23H,11H2,1-2H3,(H,22,24)
InChIKeyFVYBJXGILJCIID-UHFFFAOYSA-N
XLogP4.02
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181187
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187810
5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
5-(furan-2-ylmethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109187758
N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109279444

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109187638) is 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is COc1cc(Nc2ccc(C(=O)NCc3ccco3)nc2)c(OC)cc1Cl.
What is the InChIKey of 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FVYBJXGILJCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-25-17-9-16(18(26-2)8-14(17)20)23-12-5-6-15(21-10-12)19(24)22-11-13-4-3-7-27-13/h3-10,23H,11H2,1-2H3,(H,22,24).
What are the key properties of 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).