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

C20H25N3O3 — CID 108926624

IUPACN-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C20H25N3O3/c1-16-7-2-3-9-18(16)26-14-5-10-19(24)22-12-6-13-23-20(25)17-8-4-11-21-15-17/h2-4,7-9,11,15H,5-6,10,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVEDNLKXIJGMBNU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.49
Rot. Bonds10

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

N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide (PubChem CID 108926624) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
PubChem CID108926624
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCC(=O)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C20H25N3O3/c1-16-7-2-3-9-18(16)26-14-5-10-19(24)22-12-6-13-23-20(25)17-8-4-11-21-15-17/h2-4,7-9,11,15H,5-6,10,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVEDNLKXIJGMBNU-UHFFFAOYSA-N
XLogP2.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.49
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-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925317
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-[3-[4-(4-bromo-2-chlorophenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926620
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
4-bromo-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108539361
N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924675
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide (CID 108926624) is N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide is Cc1ccccc1OCCCC(=O)NCCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide?
The InChIKey is VEDNLKXIJGMBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16-7-2-3-9-18(16)26-14-5-10-19(24)22-12-6-13-23-20(25)17-8-4-11-21-15-17/h2-4,7-9,11,15H,5-6,10,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide?
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.49, 10 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]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).