5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide

C18H21N3O4 — CID 155955161

IUPAC5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(NC(C)=O)cnc2C)c1
InChIInChI=1S/C18H21N3O4/c1-11-16(8-14(10-19-11)21-12(2)22)18(23)20-9-13-7-15(24-3)5-6-17(13)25-4/h5-8,10H,9H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyKFMSLXSTFHDVIK-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.30
Rot. Bonds6

About 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide

5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide (PubChem CID 155955161) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
PubChem CID155955161
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(NC(C)=O)cnc2C)c1
InChIInChI=1S/C18H21N3O4/c1-11-16(8-14(10-19-11)21-12(2)22)18(23)20-9-13-7-15(24-3)5-6-17(13)25-4/h5-8,10H,9H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyKFMSLXSTFHDVIK-UHFFFAOYSA-N
XLogP2.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155964980
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53199979
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353994

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide (CID 155955161) is 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide is COc1ccc(OC)c(CNC(=O)c2cc(NC(C)=O)cnc2C)c1.
What is the InChIKey of 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is KFMSLXSTFHDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-16(8-14(10-19-11)21-12(2)22)18(23)20-9-13-7-15(24-3)5-6-17(13)25-4/h5-8,10H,9H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155955161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).