4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide

C17H19ClN4O3 — CID 133430645

IUPAC4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESNC(=O)C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCOCC1
InChIInChI=1S/C17H19ClN4O3/c18-14-13(20-11-17(16(19)24)6-8-25-9-7-17)10-21-22(15(14)23)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H2,19,24)
InChIKeyAHQLESCCHFUKIL-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.58
Rot. Bonds5

About 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide

4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide (PubChem CID 133430645) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
PubChem CID133430645
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESNC(=O)C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCOCC1
InChIInChI=1S/C17H19ClN4O3/c18-14-13(20-11-17(16(19)24)6-8-25-9-7-17)10-21-22(15(14)23)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H2,19,24)
InChIKeyAHQLESCCHFUKIL-UHFFFAOYSA-N
XLogP1.58
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
CID 9194978
4-chloro-5-[[(3S)-3-fluorooxan-3-yl]methylamino]-2-(4-phenoxyphenyl)pyridazin-3-one
CID 168963281
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
CID 60502593
4-chloro-5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-phenylpyridazin-3-one
CID 18084796
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-5-[[(3S)-3-fluorooxan-3-yl]methylamino]-2-[4-(4-fluorophenoxy)phenyl]pyridazin-3-one
CID 168964499

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide (CID 133430645) is 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide is NC(=O)C1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCOCC1.
What is the InChIKey of 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide?
The InChIKey is AHQLESCCHFUKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c18-14-13(20-11-17(16(19)24)6-8-25-9-7-17)10-21-22(15(14)23)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H2,19,24).
What are the key properties of 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide?
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 133430645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).