N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide

C18H22N2O2 — CID 52668967

IUPACN-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
SMILESCc1cccnc1NC(=O)CCCOCCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-15-7-5-12-19-18(15)20-17(21)10-6-13-22-14-11-16-8-3-2-4-9-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,20,21)
InChIKeyQATQFFNZWZIVGD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.37
Rot. Bonds8

About N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide

N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide (PubChem CID 52668967) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
PubChem CID52668967
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
SMILESCc1cccnc1NC(=O)CCCOCCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-15-7-5-12-19-18(15)20-17(21)10-6-13-22-14-11-16-8-3-2-4-9-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,20,21)
InChIKeyQATQFFNZWZIVGD-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
CID 23151222
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096727
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
3-(2-aminophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 61094715
3-(3-aminophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 43309074
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
3-[4-(2-phenylethoxy)butanoylamino]butanoic acid
CID 119220650

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide (CID 52668967) is N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide is Cc1cccnc1NC(=O)CCCOCCc1ccccc1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide?
The InChIKey is QATQFFNZWZIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-7-5-12-19-18(15)20-17(21)10-6-13-22-14-11-16-8-3-2-4-9-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,20,21).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide?
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide is sourced from PubChem (CID 52668967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).