2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide

C18H22FN3O — CID 113015117

IUPAC2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
SMILESCC(C)CCNc1ccc(NC(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C18H22FN3O/c1-13(2)9-10-20-17-8-7-15(12-21-17)22-18(23)11-14-5-3-4-6-16(14)19/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyTXEVQSBTAHIEOF-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.86
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide

2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide (PubChem CID 113015117) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
PubChem CID113015117
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
SMILESCC(C)CCNc1ccc(NC(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C18H22FN3O/c1-13(2)9-10-20-17-8-7-15(12-21-17)22-18(23)11-14-5-3-4-6-16(14)19/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyTXEVQSBTAHIEOF-UHFFFAOYSA-N
XLogP3.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023878
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009609

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide (CID 113015117) is 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide is CC(C)CCNc1ccc(NC(=O)Cc2ccccc2F)cn1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide?
The InChIKey is TXEVQSBTAHIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13(2)9-10-20-17-8-7-15(12-21-17)22-18(23)11-14-5-3-4-6-16(14)19/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide?
2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113015117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).