N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine

C16H12ClN3O — CID 21208900

IUPACN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESClc1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)cc1
InChIInChI=1S/C16H12ClN3O/c17-13-3-1-12(2-4-13)16-6-5-15(21-16)11-19-20-14-7-9-18-10-8-14/h1-11H,(H,18,20)/b19-11+
InChIKeyMQLDGQFJEISESU-YBFXNURJSA-N
MW297.75 g/mol
LogP4.44
Rot. Bonds4

About N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine

N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (PubChem CID 21208900) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
PubChem CID21208900
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESClc1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)cc1
InChIInChI=1S/C16H12ClN3O/c17-13-3-1-12(2-4-13)16-6-5-15(21-16)11-19-20-14-7-9-18-10-8-14/h1-11H,(H,18,20)/b19-11+
InChIKeyMQLDGQFJEISESU-YBFXNURJSA-N
XLogP4.44
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-3-amine
CID 50889286
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208907
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886197
4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
N-[(E)-[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208953
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 6891757
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
CID 94829795

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (CID 21208900) is N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is Clc1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The InChIKey is MQLDGQFJEISESU-YBFXNURJSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-3-1-12(2-4-13)16-6-5-15(21-16)11-19-20-14-7-9-18-10-8-14/h1-11H,(H,18,20)/b19-11+.
What are the key properties of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine has a molecular weight of 297.75 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 21208900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).