2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

C20H24FN3O2 — CID 24765015

IUPAC2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N3CCC(F)C3)cc2)nc1
InChIInChI=1S/C20H24FN3O2/c1-14(19-8-7-18(26-2)12-22-19)23-20(25)11-15-3-5-17(6-4-15)24-10-9-16(21)13-24/h3-8,12,14,16H,9-11,13H2,1-2H3,(H,23,25)/t14-,16?/m1/s1
InChIKeyYVZKHAUNBNNHHB-IURRXHLWSA-N
MW357.43 g/mol
LogP3.06
Rot. Bonds6

About 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (PubChem CID 24765015) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
PubChem CID24765015
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N3CCC(F)C3)cc2)nc1
InChIInChI=1S/C20H24FN3O2/c1-14(19-8-7-18(26-2)12-22-19)23-20(25)11-15-3-5-17(6-4-15)24-10-9-16(21)13-24/h3-8,12,14,16H,9-11,13H2,1-2H3,(H,23,25)/t14-,16?/m1/s1
InChIKeyYVZKHAUNBNNHHB-IURRXHLWSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255179
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 76655372
2-[4-(3-cyclopropylindazol-1-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610137
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132657062
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736462
N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-[2-(trifluoromethoxy)phenoxy]acetamide
CID 67290555

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (CID 24765015) is 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)Cc2ccc(N3CCC(F)C3)cc2)nc1.
What is the InChIKey of 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is YVZKHAUNBNNHHB-IURRXHLWSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14(19-8-7-18(26-2)12-22-19)23-20(25)11-15-3-5-17(6-4-15)24-10-9-16(21)13-24/h3-8,12,14,16H,9-11,13H2,1-2H3,(H,23,25)/t14-,16?/m1/s1.
What are the key properties of 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 357.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24765015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).