6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile

C22H25FN4O — CID 146240736

IUPAC6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CCC[C@H](N)C2)nc1
InChIInChI=1S/C22H25FN4O/c23-18-6-4-16(5-7-18)17-10-20(27-9-1-2-19(25)14-27)21(11-17)28-22-8-3-15(12-24)13-26-22/h3-8,13,17,19-21H,1-2,9-11,14,25H2/t17?,19-,20?,21?/m0/s1
InChIKeyADSMSIAHGRRRDF-NAFKWGRYSA-N
MW380.47 g/mol
LogP3.21
Rot. Bonds4

About 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile

6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile (PubChem CID 146240736) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile
PubChem CID146240736
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CCC[C@H](N)C2)nc1
InChIInChI=1S/C22H25FN4O/c23-18-6-4-16(5-7-18)17-10-20(27-9-1-2-19(25)14-27)21(11-17)28-22-8-3-15(12-24)13-26-22/h3-8,13,17,19-21H,1-2,9-11,14,25H2/t17?,19-,20?,21?/m0/s1
InChIKeyADSMSIAHGRRRDF-NAFKWGRYSA-N
XLogP3.21
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]benzonitrile
CID 20744801
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-[2-(difluoromethyl)pyridin-4-yl]pyridine-3-carbonitrile
CID 118429721
US10155760, Example 101
CID 118429794
4-(4-Fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644717
US10155760, Example 95
CID 118420161
US10150728, Example I-319
CID 122496998
US11274091, Example 25
CID 146240802
US11274091, Example 26
CID 146240924
US11274091, Example 28
CID 146240935
US11274091, Example 27
CID 146923992
2-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 23646986
1-[2-Phenyl-2-(2-pyridinyloxy)ethyl]piperidine
CID 222747

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile (CID 146240736) is 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CCC[C@H](N)C2)nc1.
What is the InChIKey of 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile?
The InChIKey is ADSMSIAHGRRRDF-NAFKWGRYSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-18-6-4-16(5-7-18)17-10-20(27-9-1-2-19(25)14-27)21(11-17)28-22-8-3-15(12-24)13-26-22/h3-8,13,17,19-21H,1-2,9-11,14,25H2/t17?,19-,20?,21?/m0/s1.
What are the key properties of 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile?
6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile has a molecular weight of 380.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 146240736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).