N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide

C18H22N3O3+ — CID 9404711

IUPACN-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(N2CCOCC2)cc[nH+]1
InChIInChI=1S/C18H21N3O3/c1-23-17-5-3-2-4-14(17)13-20-18(22)16-12-15(6-7-19-16)21-8-10-24-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,22)/p+1
InChIKeyLLXKVMNCTNFRIT-UHFFFAOYSA-O
MW328.39 g/mol
LogP1.28
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide

N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide (PubChem CID 9404711) has the molecular formula C18H22N3O3+ and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
PubChem CID9404711
Molecular FormulaC18H22N3O3+
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(N2CCOCC2)cc[nH+]1
InChIInChI=1S/C18H21N3O3/c1-23-17-5-3-2-4-14(17)13-20-18(22)16-12-15(6-7-19-16)21-8-10-24-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,22)/p+1
InChIKeyLLXKVMNCTNFRIT-UHFFFAOYSA-O
XLogP1.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 109365354
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CID 163329675
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053848
N-[(2-methoxyphenyl)methyl]-4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]methyl]benzamide
CID 20888659
4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-(5-morpholin-4-yl-2-pyridinyl)benzene-1,3-dicarboxamide
CID 171463805
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111217759
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 46778220
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131925589
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide (CID 9404711) is N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide is COc1ccccc1CNC(=O)c1cc(N2CCOCC2)cc[nH+]1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
The InChIKey is LLXKVMNCTNFRIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N3O3/c1-23-17-5-3-2-4-14(17)13-20-18(22)16-12-15(6-7-19-16)21-8-10-24-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,22)/p+1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide is sourced from PubChem (CID 9404711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).