6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide

C25H27N3O3 — CID 158657870

IUPAC6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1cc(Cc2cc(CCc3ccccc3)c(C(N)=O)cn2)ccc1C(=O)N(C)C
InChIInChI=1S/C25H27N3O3/c1-28(2)25(30)21-12-10-18(14-23(21)31-3)13-20-15-19(22(16-27-20)24(26)29)11-9-17-7-5-4-6-8-17/h4-8,10,12,14-16H,9,11,13H2,1-3H3,(H2,26,29)
InChIKeyICJKBFKDBKYMBP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.27
Rot. Bonds8

About 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide

6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 158657870) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID158657870
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1cc(Cc2cc(CCc3ccccc3)c(C(N)=O)cn2)ccc1C(=O)N(C)C
InChIInChI=1S/C25H27N3O3/c1-28(2)25(30)21-12-10-18(14-23(21)31-3)13-20-15-19(22(16-27-20)24(26)29)11-9-17-7-5-4-6-8-17/h4-8,10,12,14-16H,9,11,13H2,1-3H3,(H2,26,29)
InChIKeyICJKBFKDBKYMBP-UHFFFAOYSA-N
XLogP3.27
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-2-(2-phenylethyl)benzamide
CID 143158276
4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylic acid
CID 18973950
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67232650
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide
CID 155353930
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
4,5-dimethoxy-2-(2-phenylethylamino)benzamide
CID 141146407
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
CID 69030302

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide (CID 158657870) is 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide is COc1cc(Cc2cc(CCc3ccccc3)c(C(N)=O)cn2)ccc1C(=O)N(C)C.
What is the InChIKey of 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ICJKBFKDBKYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-28(2)25(30)21-12-10-18(14-23(21)31-3)13-20-15-19(22(16-27-20)24(26)29)11-9-17-7-5-4-6-8-17/h4-8,10,12,14-16H,9,11,13H2,1-3H3,(H2,26,29).
What are the key properties of 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide?
6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylcarbamoyl)-3-methoxyphenyl]methyl]-4-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158657870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).