5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C18H16ClN3O2 — CID 109187489

IUPAC5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H16ClN3O2/c19-14-5-3-13(4-6-14)10-20-15-7-8-17(21-11-15)18(23)22-12-16-2-1-9-24-16/h1-9,11,20H,10,12H2,(H,22,23)
InChIKeyNKQVDFXEIKIUIG-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.87
Rot. Bonds6

About 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109187489) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109187489
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H16ClN3O2/c19-14-5-3-13(4-6-14)10-20-15-7-8-17(21-11-15)18(23)22-12-16-2-1-9-24-16/h1-9,11,20H,10,12H2,(H,22,23)
InChIKeyNKQVDFXEIKIUIG-UHFFFAOYSA-N
XLogP3.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109182359
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109187489) is 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1ccc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NKQVDFXEIKIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-5-3-13(4-6-14)10-20-15-7-8-17(21-11-15)18(23)22-12-16-2-1-9-24-16/h1-9,11,20H,10,12H2,(H,22,23).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).