5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C18H14N4O2 — CID 109187642

IUPAC5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)NCc2ccco2)nc1
InChIInChI=1S/C18H14N4O2/c19-10-13-4-1-2-6-16(13)22-14-7-8-17(20-11-14)18(23)21-12-15-5-3-9-24-15/h1-9,11,22H,12H2,(H,21,23)
InChIKeyNNAISHKRJPKAIR-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.22
Rot. Bonds5

About 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109187642) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109187642
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)NCc2ccco2)nc1
InChIInChI=1S/C18H14N4O2/c19-10-13-4-1-2-6-16(13)22-14-7-8-17(20-11-14)18(23)21-12-15-5-3-9-24-15/h1-9,11,22H,12H2,(H,21,23)
InChIKeyNNAISHKRJPKAIR-UHFFFAOYSA-N
XLogP3.22
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303579
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109187642) is 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is N#Cc1ccccc1Nc1ccc(C(=O)NCc2ccco2)nc1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NNAISHKRJPKAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-10-13-4-1-2-6-16(13)22-14-7-8-17(20-11-14)18(23)21-12-15-5-3-9-24-15/h1-9,11,22H,12H2,(H,21,23).
What are the key properties of 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).