N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide

C24H25N3O3 — CID 108926328

IUPACN-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)c1C
InChIInChI=1S/C24H25N3O3/c1-16-9-10-17(2)23(18(16)3)30-15-22(28)27-21-8-4-6-19(12-21)13-26-24(29)20-7-5-11-25-14-20/h4-12,14H,13,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQCLRYMJFYQTFPL-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.95
Rot. Bonds7

About N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926328) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926328
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)c1C
InChIInChI=1S/C24H25N3O3/c1-16-9-10-17(2)23(18(16)3)30-15-22(28)27-21-8-4-6-19(12-21)13-26-24(29)20-7-5-11-25-14-20/h4-12,14H,13,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQCLRYMJFYQTFPL-UHFFFAOYSA-N
XLogP3.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690549
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
tert-butyl N-[2-oxo-2-[3-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]anilino]ethyl]carbamate
CID 108918405
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731174

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926328) is N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(C)c(OCC(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)c1C.
What is the InChIKey of N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QCLRYMJFYQTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-9-10-17(2)23(18(16)3)30-15-22(28)27-21-8-4-6-19(12-21)13-26-24(29)20-7-5-11-25-14-20/h4-12,14H,13,15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).