6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide

C25H27ClN4O4 — CID 45375931

IUPAC6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC
InChIInChI=1S/C25H27ClN4O4/c1-16-10-18(13-19(26)11-16)21-14-20(24(29-28-21)30-6-8-34-9-7-30)25(31)27-15-17-4-5-22(32-2)23(12-17)33-3/h4-5,10-14H,6-9,15H2,1-3H3,(H,27,31)
InChIKeyINCOCCLBSPRBNS-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.89
Rot. Bonds7

About 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide

6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide (PubChem CID 45375931) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide
PubChem CID45375931
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC
InChIInChI=1S/C25H27ClN4O4/c1-16-10-18(13-19(26)11-16)21-14-20(24(29-28-21)30-6-8-34-9-7-30)25(31)27-15-17-4-5-22(32-2)23(12-17)33-3/h4-5,10-14H,6-9,15H2,1-3H3,(H,27,31)
InChIKeyINCOCCLBSPRBNS-UHFFFAOYSA-N
XLogP3.89
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide?
The IUPAC name of 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide (CID 45375931) is 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC.
What is the InChIKey of 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide?
The InChIKey is INCOCCLBSPRBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-16-10-18(13-19(26)11-16)21-14-20(24(29-28-21)30-6-8-34-9-7-30)25(31)27-15-17-4-5-22(32-2)23(12-17)33-3/h4-5,10-14H,6-9,15H2,1-3H3,(H,27,31).
What are the key properties of 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide?
6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide is sourced from PubChem (CID 45375931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).