N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C19H21ClN4O4 — CID 108555019

IUPACN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H21ClN4O4/c1-12(28-15-4-2-13(20)3-5-15)19(27)24-10-8-14(9-11-24)21-18(26)16-6-7-17(25)23-22-16/h2-7,12,14H,8-11H2,1H3,(H,21,26)(H,23,25)
InChIKeyMUZMOYDSAGSWFK-UHFFFAOYSA-N
MW404.85 g/mol
LogP1.61
Rot. Bonds5

About N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 108555019) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID108555019
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H21ClN4O4/c1-12(28-15-4-2-13(20)3-5-15)19(27)24-10-8-14(9-11-24)21-18(26)16-6-7-17(25)23-22-16/h2-7,12,14H,8-11H2,1H3,(H,21,26)(H,23,25)
InChIKeyMUZMOYDSAGSWFK-UHFFFAOYSA-N
XLogP1.61
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553323
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 108555019) is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MUZMOYDSAGSWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-12(28-15-4-2-13(20)3-5-15)19(27)24-10-8-14(9-11-24)21-18(26)16-6-7-17(25)23-22-16/h2-7,12,14H,8-11H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108555019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).