N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

C18H12N4O2 — CID 126029202

IUPACN-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)cc1
InChIInChI=1S/C18H12N4O2/c19-10-13-3-5-14(6-4-13)17-8-7-16(24-17)12-21-22-18(23)15-2-1-9-20-11-15/h1-9,11-12H,(H,22,23)/b21-12-
InChIKeyDBLNPSGLDDKINB-MTJSOVHGSA-N
MW316.32 g/mol
LogP2.98
Rot. Bonds4

About N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 126029202) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID126029202
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)cc1
InChIInChI=1S/C18H12N4O2/c19-10-13-3-5-14(6-4-13)17-8-7-16(24-17)12-21-22-18(23)15-2-1-9-20-11-15/h1-9,11-12H,(H,22,23)/b21-12-
InChIKeyDBLNPSGLDDKINB-MTJSOVHGSA-N
XLogP2.98
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 44615975
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 9059991
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126028192
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126024433
N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 6905938
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (CID 126029202) is N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is N#Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)cc1.
What is the InChIKey of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is DBLNPSGLDDKINB-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-10-13-3-5-14(6-4-13)17-8-7-16(24-17)12-21-22-18(23)15-2-1-9-20-11-15/h1-9,11-12H,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 126029202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).