6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide

C22H31N5O — CID 109125219

IUPAC6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nn1
InChIInChI=1S/C22H31N5O/c1-16(2)10-13-23-21-9-8-20(25-26-21)22(28)24-18-4-6-19(7-5-18)27-14-11-17(3)12-15-27/h4-9,16-17H,10-15H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyYWUMQNGHMNIBRA-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.42
Rot. Bonds7

About 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide

6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 109125219) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID109125219
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nn1
InChIInChI=1S/C22H31N5O/c1-16(2)10-13-23-21-9-8-20(25-26-21)22(28)24-18-4-6-19(7-5-18)27-14-11-17(3)12-15-27/h4-9,16-17H,10-15H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyYWUMQNGHMNIBRA-UHFFFAOYSA-N
XLogP4.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
6-methyl-2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109333156
2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151851

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (CID 109125219) is 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nn1.
What is the InChIKey of 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is YWUMQNGHMNIBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-16(2)10-13-23-21-9-8-20(25-26-21)22(28)24-18-4-6-19(7-5-18)27-14-11-17(3)12-15-27/h4-9,16-17H,10-15H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109125219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).