N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide

C17H15N3O2 — CID 113031417

IUPACN-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccco3)nc2)c1
InChIInChI=1S/C17H15N3O2/c1-12-4-2-5-13(10-12)19-14-7-8-16(18-11-14)20-17(21)15-6-3-9-22-15/h2-11,19H,1H3,(H,18,20,21)
InChIKeyVMKBTYOEECMUAH-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.98
Rot. Bonds4

About N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide

N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113031417) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113031417
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccco3)nc2)c1
InChIInChI=1S/C17H15N3O2/c1-12-4-2-5-13(10-12)19-14-7-8-16(18-11-14)20-17(21)15-6-3-9-22-15/h2-11,19H,1H3,(H,18,20,21)
InChIKeyVMKBTYOEECMUAH-UHFFFAOYSA-N
XLogP3.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
CID 113020477
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035819
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide (CID 113031417) is N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide is Cc1cccc(Nc2ccc(NC(=O)c3ccco3)nc2)c1.
What is the InChIKey of N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is VMKBTYOEECMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-4-2-5-13(10-12)19-14-7-8-16(18-11-14)20-17(21)15-6-3-9-22-15/h2-11,19H,1H3,(H,18,20,21).
What are the key properties of N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).