N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide

C20H22N4O3 — CID 16674232

IUPACN-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cccnc2C)c2nccn2C)c1OC
InChIInChI=1S/C20H22N4O3/c1-13-14(8-6-10-21-13)20(25)23-17(19-22-11-12-24(19)2)15-7-5-9-16(26-3)18(15)27-4/h5-12,17H,1-4H3,(H,23,25)
InChIKeyOUPDLIYWHWYBIF-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.66
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide

N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide (PubChem CID 16674232) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide
PubChem CID16674232
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cccnc2C)c2nccn2C)c1OC
InChIInChI=1S/C20H22N4O3/c1-13-14(8-6-10-21-13)20(25)23-17(19-22-11-12-24(19)2)15-7-5-9-16(26-3)18(15)27-4/h5-12,17H,1-4H3,(H,23,25)
InChIKeyOUPDLIYWHWYBIF-UHFFFAOYSA-N
XLogP2.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
CID 24660627
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide (CID 16674232) is N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide is COc1cccc(C(NC(=O)c2cccnc2C)c2nccn2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is OUPDLIYWHWYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-14(8-6-10-21-13)20(25)23-17(19-22-11-12-24(19)2)15-7-5-9-16(26-3)18(15)27-4/h5-12,17H,1-4H3,(H,23,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide?
N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 16674232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).