4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C18H14N4O2 — CID 109209439

IUPAC4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C18H14N4O2/c19-11-13-3-1-4-14(9-13)22-15-6-7-20-17(10-15)18(23)21-12-16-5-2-8-24-16/h1-10H,12H2,(H,20,22)(H,21,23)
InChIKeyBKGKONPMNMSPIJ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.22
Rot. Bonds5

About 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109209439) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109209439
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C18H14N4O2/c19-11-13-3-1-4-14(9-13)22-15-6-7-20-17(10-15)18(23)21-12-16-5-2-8-24-16/h1-10H,12H2,(H,20,22)(H,21,23)
InChIKeyBKGKONPMNMSPIJ-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

N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209444
4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209396
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109212408
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209418
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
1-(3-cyanophenyl)-3-(furan-2-ylmethyl)thiourea
CID 8614906
4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109205532

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109209439) is 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is N#Cc1cccc(Nc2ccnc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BKGKONPMNMSPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-11-13-3-1-4-14(9-13)22-15-6-7-20-17(10-15)18(23)21-12-16-5-2-8-24-16/h1-10H,12H2,(H,20,22)(H,21,23).
What are the key properties of 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
4-(3-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 4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).