N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide

C16H17ClN4O2 — CID 95986830

IUPACN-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H17ClN4O2/c17-13-4-2-1-3-12(13)11-18-16(22)14-5-6-15(20-19-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,18,22)
InChIKeyOGASGWHOJOUWFD-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.90
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 95986830) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID95986830
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H17ClN4O2/c17-13-4-2-1-3-12(13)11-18-16(22)14-5-6-15(20-19-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,18,22)
InChIKeyOGASGWHOJOUWFD-UHFFFAOYSA-N
XLogP1.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028270
N-(furan-2-ylmethyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
N-[(2-chlorophenyl)methyl]-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 70944067
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide (CID 95986830) is N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is OGASGWHOJOUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-4-2-1-3-12(13)11-18-16(22)14-5-6-15(20-19-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,18,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 95986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).