N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide

C22H23N3O3 — CID 113017171

IUPACN-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2c(C)cccc2C)nc1
InChIInChI=1S/C22H23N3O3/c1-14-7-5-8-15(2)21(14)25-19-12-11-16(13-23-19)24-22(26)20-17(27-3)9-6-10-18(20)28-4/h5-13H,1-4H3,(H,23,25)(H,24,26)
InChIKeyXPOZULXLVVPUTG-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.71
Rot. Bonds6

About N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide

N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide (PubChem CID 113017171) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
PubChem CID113017171
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2c(C)cccc2C)nc1
InChIInChI=1S/C22H23N3O3/c1-14-7-5-8-15(2)21(14)25-19-12-11-16(13-23-19)24-22(26)20-17(27-3)9-6-10-18(20)28-4/h5-13H,1-4H3,(H,23,25)(H,24,26)
InChIKeyXPOZULXLVVPUTG-UHFFFAOYSA-N
XLogP4.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032259
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
CID 113017656
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2,6-dimethoxybenzamide
CID 28901488
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide (CID 113017171) is N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Nc2c(C)cccc2C)nc1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide?
The InChIKey is XPOZULXLVVPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-7-5-8-15(2)21(14)25-19-12-11-16(13-23-19)24-22(26)20-17(27-3)9-6-10-18(20)28-4/h5-13H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide?
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide has a molecular weight of 377.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113017171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).