6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide

C20H27N5O — CID 133313672

IUPAC6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1
InChIInChI=1S/C20H27N5O/c1-15(2)14-25-12-10-17(11-13-25)21-19-9-8-18(23-24-19)20(26)22-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyDISZHMUCNOZJOO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.26
Rot. Bonds6

About 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide

6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313672) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133313672
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1
InChIInChI=1S/C20H27N5O/c1-15(2)14-25-12-10-17(11-13-25)21-19-9-8-18(23-24-19)20(26)22-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyDISZHMUCNOZJOO-UHFFFAOYSA-N
XLogP3.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313774
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide (CID 133313672) is 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide is CC(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1.
What is the InChIKey of 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is DISZHMUCNOZJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)14-25-12-10-17(11-13-25)21-19-9-8-18(23-24-19)20(26)22-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).