2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H22FN3O2 — CID 166391536

IUPAC2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNc1nc2c(cc1C(=O)Nc1ccc(F)cc1OC1CCCC1)CCC2
InChIInChI=1S/C20H22FN3O2/c21-13-8-9-17(18(11-13)26-14-5-1-2-6-14)24-20(25)15-10-12-4-3-7-16(12)23-19(15)22/h8-11,14H,1-7H2,(H2,22,23)(H,24,25)
InChIKeyJXUAUAXUWAZMDC-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.87
Rot. Bonds4

About 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 166391536) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID166391536
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNc1nc2c(cc1C(=O)Nc1ccc(F)cc1OC1CCCC1)CCC2
InChIInChI=1S/C20H22FN3O2/c21-13-8-9-17(18(11-13)26-14-5-1-2-6-14)24-20(25)15-10-12-4-3-7-16(12)23-19(15)22/h8-11,14H,1-7H2,(H2,22,23)(H,24,25)
InChIKeyJXUAUAXUWAZMDC-UHFFFAOYSA-N
XLogP3.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 146137008
N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide
CID 154836290
3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010868
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771
tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate
CID 118242693
(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99856429
N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
CID 88900130
1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 71913952
N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine
CID 118242697
2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
CID 168522226
N-(2-cyclohexyloxy-5-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carboxamide
CID 166319208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 166391536) is 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1OC1CCCC1)CCC2.
What is the InChIKey of 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is JXUAUAXUWAZMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-13-8-9-17(18(11-13)26-14-5-1-2-6-14)24-20(25)15-10-12-4-3-7-16(12)23-19(15)22/h8-11,14H,1-7H2,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 166391536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).