N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide

C18H17N3O2 — CID 113032100

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccco3)nc2)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-5-6-14(10-13(12)2)20-15-7-8-17(19-11-15)21-18(22)16-4-3-9-23-16/h3-11,20H,1-2H3,(H,19,21,22)
InChIKeySSUKIGKZUJNPGH-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.29
Rot. Bonds4

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113032100) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113032100
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccco3)nc2)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-5-6-14(10-13(12)2)20-15-7-8-17(19-11-15)21-18(22)16-4-3-9-23-16/h3-11,20H,1-2H3,(H,19,21,22)
InChIKeySSUKIGKZUJNPGH-UHFFFAOYSA-N
XLogP4.29
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035819
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
CID 113020477
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808
N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
CID 113029807

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide (CID 113032100) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide is Cc1ccc(Nc2ccc(NC(=O)c3ccco3)nc2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is SSUKIGKZUJNPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-5-6-14(10-13(12)2)20-15-7-8-17(19-11-15)21-18(22)16-4-3-9-23-16/h3-11,20H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113032100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).