N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

C17H13Cl2N5O — CID 109121355

IUPACN-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C17H13Cl2N5O/c18-12-7-13(19)9-14(8-12)22-17(25)15-1-2-16(24-23-15)21-10-11-3-5-20-6-4-11/h1-9H,10H2,(H,21,24)(H,22,25)
InChIKeyUKIADOFRIABCJA-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.04
Rot. Bonds5

About N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109121355) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109121355
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC NameN-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C17H13Cl2N5O/c18-12-7-13(19)9-14(8-12)22-17(25)15-1-2-16(24-23-15)21-10-11-3-5-20-6-4-11/h1-9H,10H2,(H,21,24)(H,22,25)
InChIKeyUKIADOFRIABCJA-UHFFFAOYSA-N
XLogP4.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121317
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (CID 109121355) is N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NCc2ccncc2)nn1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is UKIADOFRIABCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-12-7-13(19)9-14(8-12)22-17(25)15-1-2-16(24-23-15)21-10-11-3-5-20-6-4-11/h1-9H,10H2,(H,21,24)(H,22,25).
What are the key properties of N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).