N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

C21H25N5O2 — CID 90012466

IUPACN-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESCC(=O)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C21H25N5O2/c1-15(27)25-11-8-17(9-12-25)16-4-6-19(7-5-16)26(20-3-2-10-23-24-20)21(28)18-13-22-14-18/h2-7,10,17-18,22H,8-9,11-14H2,1H3
InChIKeyQJMNGFZXBVSKNC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.09
Rot. Bonds4

About N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (PubChem CID 90012466) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
PubChem CID90012466
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESCC(=O)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C21H25N5O2/c1-15(27)25-11-8-17(9-12-25)16-4-6-19(7-5-16)26(20-3-2-10-23-24-20)21(28)18-13-22-14-18/h2-7,10,17-18,22H,8-9,11-14H2,1H3
InChIKeyQJMNGFZXBVSKNC-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (CID 90012466) is N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is CC(=O)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1.
What is the InChIKey of N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The InChIKey is QJMNGFZXBVSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(27)25-11-8-17(9-12-25)16-4-6-19(7-5-16)26(20-3-2-10-23-24-20)21(28)18-13-22-14-18/h2-7,10,17-18,22H,8-9,11-14H2,1H3.
What are the key properties of N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).