6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide

C21H24N2O3 — CID 162084469

IUPAC6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2C)cc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C21H24N2O3/c1-13-7-15(13)12-20(24)16-10-17(23-19(11-16)21(25)22-2)8-14-5-4-6-18(9-14)26-3/h4-6,9-11,13,15H,7-8,12H2,1-3H3,(H,22,25)/t13-,15+/m0/s1
InChIKeyZCTVDXDIEUEHAD-DZGCQCFKSA-N
MW352.43 g/mol
LogP3.27
Rot. Bonds7

About 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide

6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide (PubChem CID 162084469) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide
PubChem CID162084469
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2C)cc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C21H24N2O3/c1-13-7-15(13)12-20(24)16-10-17(23-19(11-16)21(25)22-2)8-14-5-4-6-18(9-14)26-3/h4-6,9-11,13,15H,7-8,12H2,1-3H3,(H,22,25)/t13-,15+/m0/s1
InChIKeyZCTVDXDIEUEHAD-DZGCQCFKSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 146818121
1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 158863344
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 158977101
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 138571886
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
5-(2-cyclobutylacetyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161360458

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide (CID 162084469) is 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2C)cc(Cc2cccc(OC)c2)n1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide?
The InChIKey is ZCTVDXDIEUEHAD-DZGCQCFKSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-7-15(13)12-20(24)16-10-17(23-19(11-16)21(25)22-2)8-14-5-4-6-18(9-14)26-3/h4-6,9-11,13,15H,7-8,12H2,1-3H3,(H,22,25)/t13-,15+/m0/s1.
What are the key properties of 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide?
6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide is sourced from PubChem (CID 162084469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).