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

C19H23N3O3 — CID 108541662

IUPACN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C19H23N3O3/c1-15-4-6-17(7-5-15)25-14-2-3-18(23)21-12-13-22-19(24)16-8-10-20-11-9-16/h4-11H,2-3,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyIEFAZXJCKCZLFU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.10
Rot. Bonds9

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

N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide (PubChem CID 108541662) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
PubChem CID108541662
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C19H23N3O3/c1-15-4-6-17(7-5-15)25-14-2-3-18(23)21-12-13-22-19(24)16-8-10-20-11-9-16/h4-11H,2-3,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyIEFAZXJCKCZLFU-UHFFFAOYSA-N
XLogP2.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.10
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-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N'-[4-(4-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979119
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
N-[2-(4-methylphenoxy)ethyl]-4-(pyridin-4-ylamino)benzamide
CID 166210170
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide (CID 108541662) is N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide is Cc1ccc(OCCCC(=O)NCCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide?
The InChIKey is IEFAZXJCKCZLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15-4-6-17(7-5-15)25-14-2-3-18(23)21-12-13-22-19(24)16-8-10-20-11-9-16/h4-11H,2-3,12-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide?
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108541662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).