N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

C21H27N3O4 — CID 51956598

IUPACN-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1cc(C)c([C@H](C)NC(=O)c2cccnc2N2CCOCC2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-14-12-18(26-3)19(27-4)13-17(14)15(2)23-21(25)16-6-5-7-22-20(16)24-8-10-28-11-9-24/h5-7,12-13,15H,8-11H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyVJOXVOSOECUAAC-HNNXBMFYSA-N
MW385.46 g/mol
LogP2.73
Rot. Bonds6

About N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 51956598) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID51956598
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1cc(C)c([C@H](C)NC(=O)c2cccnc2N2CCOCC2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-14-12-18(26-3)19(27-4)13-17(14)15(2)23-21(25)16-6-5-7-22-20(16)24-8-10-28-11-9-24/h5-7,12-13,15H,8-11H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyVJOXVOSOECUAAC-HNNXBMFYSA-N
XLogP2.73
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 51956651
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
2-morpholin-4-yl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 84576378
2-morpholin-4-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 94028646
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 95558715
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide
CID 92901391
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045311
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134025205
2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 25247132

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 51956598) is N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is COc1cc(C)c([C@H](C)NC(=O)c2cccnc2N2CCOCC2)cc1OC.
What is the InChIKey of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is VJOXVOSOECUAAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-12-18(26-3)19(27-4)13-17(14)15(2)23-21(25)16-6-5-7-22-20(16)24-8-10-28-11-9-24/h5-7,12-13,15H,8-11H2,1-4H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 51956598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).