5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C18H16ClN3O2 — CID 109231384

IUPAC5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCc3ccco3)c2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-4-5-14(8-17(12)19)22-15-7-13(9-20-10-15)18(23)21-11-16-3-2-6-24-16/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyXFHQPEDGJJYXRT-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.31
Rot. Bonds5

About 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109231384) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109231384
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCc3ccco3)c2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-4-5-14(8-17(12)19)22-15-7-13(9-20-10-15)18(23)21-11-16-3-2-6-24-16/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyXFHQPEDGJJYXRT-UHFFFAOYSA-N
XLogP4.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109231371
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109231412
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 109231384) is 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)NCc3ccco3)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XFHQPEDGJJYXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-4-5-14(8-17(12)19)22-15-7-13(9-20-10-15)18(23)21-11-16-3-2-6-24-16/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).