N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide

C20H26N4O2 — CID 95219056

IUPACN-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide
SMILESCCC[C@H]1COCCN1Cc1cccc(C(=O)Nc2ccc(C)nn2)c1
InChIInChI=1S/C20H26N4O2/c1-3-5-18-14-26-11-10-24(18)13-16-6-4-7-17(12-16)20(25)21-19-9-8-15(2)22-23-19/h4,6-9,12,18H,3,5,10-11,13-14H2,1-2H3,(H,21,23,25)/t18-/m0/s1
InChIKeyTUKSGUDKAMBMRM-SFHVURJKSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds6

About N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide

N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide (PubChem CID 95219056) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide
PubChem CID95219056
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide
SMILESCCC[C@H]1COCCN1Cc1cccc(C(=O)Nc2ccc(C)nn2)c1
InChIInChI=1S/C20H26N4O2/c1-3-5-18-14-26-11-10-24(18)13-16-6-4-7-17(12-16)20(25)21-19-9-8-15(2)22-23-19/h4,6-9,12,18H,3,5,10-11,13-14H2,1-2H3,(H,21,23,25)/t18-/m0/s1
InChIKeyTUKSGUDKAMBMRM-SFHVURJKSA-N
XLogP3.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-ethylphenyl)-3-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide
CID 95197367
N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
CID 50960208
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
(3S)-3-(2-methylpropyl)-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine
CID 99948939
methyl 3-[(2-propylpiperazin-1-yl)methyl]benzoate
CID 75088533
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol
CID 83099978
4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine
CID 50970056
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356

Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide?
The IUPAC name of N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide (CID 95219056) is N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide.
What is the SMILES notation for N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide?
The canonical SMILES for N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide is CCC[C@H]1COCCN1Cc1cccc(C(=O)Nc2ccc(C)nn2)c1.
What is the InChIKey of N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide?
The InChIKey is TUKSGUDKAMBMRM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-5-18-14-26-11-10-24(18)13-16-6-4-7-17(12-16)20(25)21-19-9-8-15(2)22-23-19/h4,6-9,12,18H,3,5,10-11,13-14H2,1-2H3,(H,21,23,25)/t18-/m0/s1.
What are the key properties of N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide?
N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyridazin-3-yl)-3-[[(3S)-3-propylmorpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 95219056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).