6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide

C20H17ClN4O2 — CID 109119776

IUPAC6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)14-6-4-7-16(11-14)23-19-10-9-18(24-25-19)20(27)22-12-15-5-2-3-8-17(15)21/h2-11H,12H2,1H3,(H,22,27)(H,23,25)
InChIKeyANBUDPPKHNUABF-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.01
Rot. Bonds6

About 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide

6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109119776) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID109119776
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)14-6-4-7-16(11-14)23-19-10-9-18(24-25-19)20(27)22-12-15-5-2-3-8-17(15)21/h2-11H,12H2,1H3,(H,22,27)(H,23,25)
InChIKeyANBUDPPKHNUABF-UHFFFAOYSA-N
XLogP4.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-[(2-chlorophenyl)methylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109119781
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109119766
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118200
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide (CID 109119776) is 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is ANBUDPPKHNUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)14-6-4-7-16(11-14)23-19-10-9-18(24-25-19)20(27)22-12-15-5-2-3-8-17(15)21/h2-11H,12H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109119776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).