N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide

C18H22N2O3 — CID 124730066

IUPACN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
SMILESCCOc1ccc([C@@H](COC)NC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H22N2O3/c1-4-23-16-9-7-14(8-10-16)17(12-22-3)20-18(21)15-6-5-13(2)19-11-15/h5-11,17H,4,12H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyGXAXTDXCTIFOEA-QGZVFWFLSA-N
MW314.39 g/mol
LogP2.91
Rot. Bonds7

About N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide

N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide (PubChem CID 124730066) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
PubChem CID124730066
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
SMILESCCOc1ccc([C@@H](COC)NC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H22N2O3/c1-4-23-16-9-7-14(8-10-16)17(12-22-3)20-18(21)15-6-5-13(2)19-11-15/h5-11,17H,4,12H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyGXAXTDXCTIFOEA-QGZVFWFLSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
CID 110004555
4-[[[1-(4-ethoxyphenyl)-2-methoxyethyl]amino]methyl]benzoic acid
CID 122034082
(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide (CID 124730066) is N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide is CCOc1ccc([C@@H](COC)NC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is GXAXTDXCTIFOEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-23-16-9-7-14(8-10-16)17(12-22-3)20-18(21)15-6-5-13(2)19-11-15/h5-11,17H,4,12H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide?
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 124730066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).