N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide

C18H16N4O2 — CID 162738457

IUPACN-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide
SMILESCc1cccc(C(=NNC(=O)c2ccco2)c2cccc(C)n2)n1
InChIInChI=1S/C18H16N4O2/c1-12-6-3-8-14(19-12)17(15-9-4-7-13(2)20-15)21-22-18(23)16-10-5-11-24-16/h3-11H,1-2H3,(H,22,23)
InChIKeyITEKLKRSGHUQKF-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.87
Rot. Bonds4

About N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide

N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide (PubChem CID 162738457) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide
PubChem CID162738457
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide
SMILESCc1cccc(C(=NNC(=O)c2ccco2)c2cccc(C)n2)n1
InChIInChI=1S/C18H16N4O2/c1-12-6-3-8-14(19-12)17(15-9-4-7-13(2)20-15)21-22-18(23)16-10-5-11-24-16/h3-11H,1-2H3,(H,22,23)
InChIKeyITEKLKRSGHUQKF-UHFFFAOYSA-N
XLogP2.87
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.87
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-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide
CID 162738340
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
CID 6005254
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 3708601
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
CID 170856265
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764

Frequently Asked Questions

What is the IUPAC name of N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide (CID 162738457) is N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide is Cc1cccc(C(=NNC(=O)c2ccco2)c2cccc(C)n2)n1.
What is the InChIKey of N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide?
The InChIKey is ITEKLKRSGHUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-6-3-8-14(19-12)17(15-9-4-7-13(2)20-15)21-22-18(23)16-10-5-11-24-16/h3-11H,1-2H3,(H,22,23).
What are the key properties of N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide?
N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 162738457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).