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

C17H13Cl2N3O2 — CID 109231446

IUPAC5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cncc(Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c18-14-4-1-5-15(16(14)19)22-12-7-11(8-20-9-12)17(23)21-10-13-3-2-6-24-13/h1-9,22H,10H2,(H,21,23)
InChIKeyQEDSKKPIWYUFOK-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.66
Rot. Bonds5

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

5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109231446) 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-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109231446
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cncc(Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c18-14-4-1-5-15(16(14)19)22-12-7-11(8-20-9-12)17(23)21-10-13-3-2-6-24-13/h1-9,22H,10H2,(H,21,23)
InChIKeyQEDSKKPIWYUFOK-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-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109231412
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231384
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109231371
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082
5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241006

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 109231446) is 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccco1)c1cncc(Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QEDSKKPIWYUFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-14-4-1-5-15(16(14)19)22-12-7-11(8-20-9-12)17(23)21-10-13-3-2-6-24-13/h1-9,22H,10H2,(H,21,23).
What are the key properties of 5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 109231446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).