1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide

C22H22ClN5O3 — CID 32586451

IUPAC1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccnc(N3CCOCC3)c2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5O3/c1-15-12-19(29)21(26-28(15)18-4-2-17(23)3-5-18)22(30)25-14-16-6-7-24-20(13-16)27-8-10-31-11-9-27/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)
InChIKeyDJKZSSSUUFGTNZ-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.36
Rot. Bonds5

About 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide (PubChem CID 32586451) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide
PubChem CID32586451
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccnc(N3CCOCC3)c2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5O3/c1-15-12-19(29)21(26-28(15)18-4-2-17(23)3-5-18)22(30)25-14-16-6-7-24-20(13-16)27-8-10-31-11-9-27/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)
InChIKeyDJKZSSSUUFGTNZ-UHFFFAOYSA-N
XLogP2.36
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
CID 78880112
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32585817
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 32585867
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide (CID 32586451) is 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2ccnc(N3CCOCC3)c2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is DJKZSSSUUFGTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-15-12-19(29)21(26-28(15)18-4-2-17(23)3-5-18)22(30)25-14-16-6-7-24-20(13-16)27-8-10-31-11-9-27/h2-7,12-13H,8-11,14H2,1H3,(H,25,30).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 439.90 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32586451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).