N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide

C26H30ClN3O4 — CID 146035589

IUPACN-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
SMILESCCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O
InChIInChI=1S/C26H30ClN3O4/c1-5-6-9-22(25(31)28-21-13-11-20(27)12-14-21)30-26(32)19(15-17(2)29-30)16-18-8-7-10-23(33-3)24(18)34-4/h7-8,10-15,22H,5-6,9,16H2,1-4H3,(H,28,31)
InChIKeyBZVPHRYZBNRAIA-UHFFFAOYSA-N
MW484.00 g/mol
LogP5.18
Rot. Bonds10

About N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide

N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide (PubChem CID 146035589) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
PubChem CID146035589
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC NameN-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
SMILESCCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O
InChIInChI=1S/C26H30ClN3O4/c1-5-6-9-22(25(31)28-21-13-11-20(27)12-14-21)30-26(32)19(15-17(2)29-30)16-18-8-7-10-23(33-3)24(18)34-4/h7-8,10-15,22H,5-6,9,16H2,1-4H3,(H,28,31)
InChIKeyBZVPHRYZBNRAIA-UHFFFAOYSA-N
XLogP5.18
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
CID 122488051
(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-methoxyphenyl)hexanamide
CID 6566710
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 3600249
(3S)-3-[[(2R)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-pyridinyl]hexanoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 22770632
N-(3-chloro-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)hexanamide
CID 2902635
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
N-(4-bromophenyl)-2-[5-[(1R)-1-(3-methoxyphenyl)pentyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
CID 66561243
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
2-tert-butyl-3-(2,3-dimethoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]octanamide
CID 22437691
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylhexanamide
CID 135205951
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide (CID 146035589) is N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide is CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
The InChIKey is BZVPHRYZBNRAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-5-6-9-22(25(31)28-21-13-11-20(27)12-14-21)30-26(32)19(15-17(2)29-30)16-18-8-7-10-23(33-3)24(18)34-4/h7-8,10-15,22H,5-6,9,16H2,1-4H3,(H,28,31).
What are the key properties of N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide?
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide has a molecular weight of 484.00 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide is sourced from PubChem (CID 146035589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).