N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide

C16H19ClN4O — CID 109111563

IUPACN-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-11(2)19-16(22)14-8-9-15(21-20-14)18-10-12-6-4-5-7-13(12)17/h4-9,11H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUAHLNTQHRFRSHQ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.27
Rot. Bonds6

About N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide

N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109111563) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109111563
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-11(2)19-16(22)14-8-9-15(21-20-14)18-10-12-6-4-5-7-13(12)17/h4-9,11H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUAHLNTQHRFRSHQ-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide (CID 109111563) is N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(NCc2ccccc2Cl)nn1.
What is the InChIKey of N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is UAHLNTQHRFRSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-11(2)19-16(22)14-8-9-15(21-20-14)18-10-12-6-4-5-7-13(12)17/h4-9,11H,3,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide?
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109111563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).