N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C23H22N4O3 — CID 7593475

IUPACN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N4O3/c28-23(17-6-10-20-21(14-17)30-15-29-20)24-18-7-4-16(5-8-18)19-9-11-22(26-25-19)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13,15H2,(H,24,28)
InChIKeyRJNJDGMVFXJYHR-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.11
Rot. Bonds4

About N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7593475) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7593475
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N4O3/c28-23(17-6-10-20-21(14-17)30-15-29-20)24-18-7-4-16(5-8-18)19-9-11-22(26-25-19)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13,15H2,(H,24,28)
InChIKeyRJNJDGMVFXJYHR-UHFFFAOYSA-N
XLogP4.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992554
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
1-(1,3-benzodioxol-5-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991826
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46267978

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 7593475) is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RJNJDGMVFXJYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-23(17-6-10-20-21(14-17)30-15-29-20)24-18-7-4-16(5-8-18)19-9-11-22(26-25-19)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13,15H2,(H,24,28).
What are the key properties of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7593475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).