N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide

C16H17N5O5 — CID 121028198

IUPACN-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H17N5O5/c1-25-14-10-11(21(23)24)2-3-12(14)17-16(22)13-4-5-15(19-18-13)20-6-8-26-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,22)
InChIKeyLIWZNXFKNFFYRQ-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.48
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide

N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 121028198) has the molecular formula C16H17N5O5 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID121028198
Molecular FormulaC16H17N5O5
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H17N5O5/c1-25-14-10-11(21(23)24)2-3-12(14)17-16(22)13-4-5-15(19-18-13)20-6-8-26-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,22)
InChIKeyLIWZNXFKNFFYRQ-UHFFFAOYSA-N
XLogP1.48
TPSA119.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027748
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116283
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
CID 121114108
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224349
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711481

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide (CID 121028198) is N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is LIWZNXFKNFFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O5/c1-25-14-10-11(21(23)24)2-3-12(14)17-16(22)13-4-5-15(19-18-13)20-6-8-26-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,22).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).