N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide

C24H25N3O3 — CID 108926346

IUPACN-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C24H25N3O3/c1-18-7-2-3-11-22(18)30-14-6-12-23(28)27-21-10-4-8-19(15-21)16-26-24(29)20-9-5-13-25-17-20/h2-5,7-11,13,15,17H,6,12,14,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyHLDHUCFTLJVTLG-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.12
Rot. Bonds9

About N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926346) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926346
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C24H25N3O3/c1-18-7-2-3-11-22(18)30-14-6-12-23(28)27-21-10-4-8-19(15-21)16-26-24(29)20-9-5-13-25-17-20/h2-5,7-11,13,15,17H,6,12,14,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyHLDHUCFTLJVTLG-UHFFFAOYSA-N
XLogP4.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925317
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926328
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926320

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108926346) is N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide is Cc1ccccc1OCCCC(=O)Nc1cccc(CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HLDHUCFTLJVTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-18-7-2-3-11-22(18)30-14-6-12-23(28)27-21-10-4-8-19(15-21)16-26-24(29)20-9-5-13-25-17-20/h2-5,7-11,13,15,17H,6,12,14,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).