N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide

C20H25N5O — CID 90012219

IUPACN-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide
SMILESCc1ccnnc1N(C(=O)C1CNC1)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H25N5O/c1-14-6-11-23-24-19(14)25(20(26)17-12-22-13-17)18-4-2-15(3-5-18)16-7-9-21-10-8-16/h2-6,11,16-17,21-22H,7-10,12-13H2,1H3
InChIKeyKRZUTFNEASOIRL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.14
Rot. Bonds4

About N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide

N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide (PubChem CID 90012219) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide
PubChem CID90012219
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide
SMILESCc1ccnnc1N(C(=O)C1CNC1)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H25N5O/c1-14-6-11-23-24-19(14)25(20(26)17-12-22-13-17)18-4-2-15(3-5-18)16-7-9-21-10-8-16/h2-6,11,16-17,21-22H,7-10,12-13H2,1H3
InChIKeyKRZUTFNEASOIRL-UHFFFAOYSA-N
XLogP2.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide (CID 90012219) is N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide is Cc1ccnnc1N(C(=O)C1CNC1)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide?
The InChIKey is KRZUTFNEASOIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-6-11-23-24-19(14)25(20(26)17-12-22-13-17)18-4-2-15(3-5-18)16-7-9-21-10-8-16/h2-6,11,16-17,21-22H,7-10,12-13H2,1H3.
What are the key properties of N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide?
N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90012219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).