N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide

C28H27N3O5 — CID 156631193

IUPACN-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ncc(-c3cc(OC)c(OC)c(OC)c3)cc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C28H27N3O5/c1-33-22-12-10-21(11-13-22)30-27-23(31-28(32)18-8-6-5-7-9-18)14-20(17-29-27)19-15-24(34-2)26(36-4)25(16-19)35-3/h5-17H,1-4H3,(H,29,30)(H,31,32)
InChIKeyKEHHYMQZIWVILR-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.78
Rot. Bonds9

About N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide

N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide (PubChem CID 156631193) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide
PubChem CID156631193
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ncc(-c3cc(OC)c(OC)c(OC)c3)cc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C28H27N3O5/c1-33-22-12-10-21(11-13-22)30-27-23(31-28(32)18-8-6-5-7-9-18)14-20(17-29-27)19-15-24(34-2)26(36-4)25(16-19)35-3/h5-17H,1-4H3,(H,29,30)(H,31,32)
InChIKeyKEHHYMQZIWVILR-UHFFFAOYSA-N
XLogP5.78
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 118724063
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-(4-benzamido-2,5-dimethoxyphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796630
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
N-[2,5-dimethoxy-4-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]benzamide
CID 21010306
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50777051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide?
The IUPAC name of N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide (CID 156631193) is N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide is COc1ccc(Nc2ncc(-c3cc(OC)c(OC)c(OC)c3)cc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide?
The InChIKey is KEHHYMQZIWVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-33-22-12-10-21(11-13-22)30-27-23(31-28(32)18-8-6-5-7-9-18)14-20(17-29-27)19-15-24(34-2)26(36-4)25(16-19)35-3/h5-17H,1-4H3,(H,29,30)(H,31,32).
What are the key properties of N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide?
N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide has a molecular weight of 485.54 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 156631193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).