N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide

C18H16ClN3O2 — CID 113033730

IUPACN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccco3)nc2)c(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-8-12(2)17(14(19)9-11)21-13-5-6-16(20-10-13)22-18(23)15-4-3-7-24-15/h3-10,21H,1-2H3,(H,20,22,23)
InChIKeyXGVSUIPJQRYPPR-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.94
Rot. Bonds4

About N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide

N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113033730) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113033730
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccco3)nc2)c(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-8-12(2)17(14(19)9-11)21-13-5-6-16(20-10-13)22-18(23)15-4-3-7-24-15/h3-10,21H,1-2H3,(H,20,22,23)
InChIKeyXGVSUIPJQRYPPR-UHFFFAOYSA-N
XLogP4.94
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.94
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
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035446
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
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-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide (CID 113033730) is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide is Cc1cc(C)c(Nc2ccc(NC(=O)c3ccco3)nc2)c(Cl)c1.
What is the InChIKey of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is XGVSUIPJQRYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-8-12(2)17(14(19)9-11)21-13-5-6-16(20-10-13)22-18(23)15-4-3-7-24-15/h3-10,21H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113033730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).