N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide

C20H25N5O — CID 90011159

IUPACN-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccc(CC2CCNCC2)cc1)N1CC(c2cccnn2)C1
InChIInChI=1S/C20H25N5O/c26-20(25-13-17(14-25)19-2-1-9-22-24-19)23-18-5-3-15(4-6-18)12-16-7-10-21-11-8-16/h1-6,9,16-17,21H,7-8,10-14H2,(H,23,26)
InChIKeyBVVZBUXOYINIAV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds4

About N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide

N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide (PubChem CID 90011159) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
PubChem CID90011159
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccc(CC2CCNCC2)cc1)N1CC(c2cccnn2)C1
InChIInChI=1S/C20H25N5O/c26-20(25-13-17(14-25)19-2-1-9-22-24-19)23-18-5-3-15(4-6-18)12-16-7-10-21-11-8-16/h1-6,9,16-17,21H,7-8,10-14H2,(H,23,26)
InChIKeyBVVZBUXOYINIAV-UHFFFAOYSA-N
XLogP2.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
CID 90011389
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 90012791
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide
CID 170124345
N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 156607956
1-[2-(4-tert-butyl-2-methylphenyl)pyrazol-3-yl]-3-[4-(piperidin-4-ylmethyl)phenyl]urea
CID 68825389
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
4-(piperidin-4-ylmethyl)phenol
CID 17039495

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide (CID 90011159) is N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide is O=C(Nc1ccc(CC2CCNCC2)cc1)N1CC(c2cccnn2)C1.
What is the InChIKey of N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide?
The InChIKey is BVVZBUXOYINIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(25-13-17(14-25)19-2-1-9-22-24-19)23-18-5-3-15(4-6-18)12-16-7-10-21-11-8-16/h1-6,9,16-17,21H,7-8,10-14H2,(H,23,26).
What are the key properties of N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide?
N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90011159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).