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

C23H23N3O3 — CID 108925317

IUPACN-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H23N3O3/c1-17-8-2-5-12-21(17)29-15-7-13-22(27)25-19-10-3-4-11-20(19)26-23(28)18-9-6-14-24-16-18/h2-6,8-12,14,16H,7,13,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyDKSXFOJTZISFLB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.44
Rot. Bonds8

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

N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 108925317) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
PubChem CID108925317
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H23N3O3/c1-17-8-2-5-12-21(17)29-15-7-13-22(27)25-19-10-3-4-11-20(19)26-23(28)18-9-6-14-24-16-18/h2-6,8-12,14,16H,7,13,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyDKSXFOJTZISFLB-UHFFFAOYSA-N
XLogP4.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.44
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-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924675
N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042
N-(2-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487034

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide (CID 108925317) is N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide is Cc1ccccc1OCCCC(=O)Nc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is DKSXFOJTZISFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-8-2-5-12-21(17)29-15-7-13-22(27)25-19-10-3-4-11-20(19)26-23(28)18-9-6-14-24-16-18/h2-6,8-12,14,16H,7,13,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide?
N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).