N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide

C16H13ClN4O2 — CID 113047767

IUPACN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccco3)nn2)cc1Cl
InChIInChI=1S/C16H13ClN4O2/c1-10-4-5-11(9-12(10)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h2-9H,1H3,(H,18,20)(H,19,21,22)
InChIKeyUKGDDOGMFMFELT-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.03
Rot. Bonds4

About N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide (PubChem CID 113047767) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
PubChem CID113047767
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccco3)nn2)cc1Cl
InChIInChI=1S/C16H13ClN4O2/c1-10-4-5-11(9-12(10)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h2-9H,1H3,(H,18,20)(H,19,21,22)
InChIKeyUKGDDOGMFMFELT-UHFFFAOYSA-N
XLogP4.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113050628
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113046884
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide (CID 113047767) is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide is Cc1ccc(Nc2ccc(NC(=O)c3ccco3)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is UKGDDOGMFMFELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-10-4-5-11(9-12(10)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h2-9H,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 113047767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).