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

C20H25N5O2 — CID 133313774

IUPAC6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1
InChIInChI=1S/C20H25N5O2/c1-14(2)20(27)25-12-10-16(11-13-25)21-18-9-8-17(23-24-18)19(26)22-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyFRKAUNUYCPWCHB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.79
Rot. Bonds5

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

6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313774) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133313774
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1
InChIInChI=1S/C20H25N5O2/c1-14(2)20(27)25-12-10-16(11-13-25)21-18-9-8-17(23-24-18)19(26)22-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyFRKAUNUYCPWCHB-UHFFFAOYSA-N
XLogP2.79
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313672
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
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
6-(cyclopentylamino)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109112098
1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282593
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943
ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109117873
1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide (CID 133313774) is 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide is CC(C)C(=O)N1CCC(Nc2ccc(C(=O)Nc3ccccc3)nn2)CC1.
What is the InChIKey of 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is FRKAUNUYCPWCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)20(27)25-12-10-16(11-13-25)21-18-9-8-17(23-24-18)19(26)22-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide?
6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).