N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide

C21H21N3O3 — CID 109162326

IUPACN-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-24(17-7-5-4-6-8-17)20-12-9-15(14-22-20)21(25)23-16-10-11-18(26-2)19(13-16)27-3/h4-14H,1-3H3,(H,23,25)
InChIKeyKNNBYPLRAORHDI-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.12
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 109162326) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID109162326
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-24(17-7-5-4-6-8-17)20-12-9-15(14-22-20)21(25)23-16-10-11-18(26-2)19(13-16)27-3/h4-14H,1-3H3,(H,23,25)
InChIKeyKNNBYPLRAORHDI-UHFFFAOYSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112846287
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
N-(3,4-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243640
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113016484
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide (CID 109162326) is N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is KNNBYPLRAORHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(17-7-5-4-6-8-17)20-12-9-15(14-22-20)21(25)23-16-10-11-18(26-2)19(13-16)27-3/h4-14H,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).