N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide

C19H17ClN4O2 — CID 113041613

IUPACN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-4-2-3-14(11-16)19(25)22-18-10-9-17(23-24-18)21-12-13-5-7-15(20)8-6-13/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyBKHUOTSYMHGYOC-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

About N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide (PubChem CID 113041613) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
PubChem CID113041613
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-4-2-3-14(11-16)19(25)22-18-10-9-17(23-24-18)21-12-13-5-7-15(20)8-6-13/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyBKHUOTSYMHGYOC-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
CID 112984117
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide (CID 113041613) is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NCc3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide?
The InChIKey is BKHUOTSYMHGYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-4-2-3-14(11-16)19(25)22-18-10-9-17(23-24-18)21-12-13-5-7-15(20)8-6-13/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide?
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 113041613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).