5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C17H13Cl2N3O2 — CID 109187637

IUPAC5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-4-1-5-14(16(13)19)22-11-6-7-15(20-9-11)17(23)21-10-12-3-2-8-24-12/h1-9,22H,10H2,(H,21,23)
InChIKeyPZJADXFHDTVYJP-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.66
Rot. Bonds5

About 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109187637) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109187637
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-4-1-5-14(16(13)19)22-11-6-7-15(20-9-11)17(23)21-10-12-3-2-8-24-12/h1-9,22H,10H2,(H,21,23)
InChIKeyPZJADXFHDTVYJP-UHFFFAOYSA-N
XLogP4.66
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109182359
N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 109187612
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109187637) is 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1ccc(Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is PZJADXFHDTVYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-4-1-5-14(16(13)19)22-11-6-7-15(20-9-11)17(23)21-10-12-3-2-8-24-12/h1-9,22H,10H2,(H,21,23).
What are the key properties of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).