2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide

C19H21FN4O2 — CID 170323322

IUPAC2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide
SMILESCC(N)(C(N)=O)c1cc(OC2[C@H]3CNC[C@@H]23)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN4O2/c1-19(22,18(21)25)11-6-15(10-2-4-12(20)5-3-10)24-16(7-11)26-17-13-8-23-9-14(13)17/h2-7,13-14,17,23H,8-9,22H2,1H3,(H2,21,25)/t13-,14+,17?,19?
InChIKeyBSFJUUKKXVBZFK-BQIGGSFXSA-N
MW356.40 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide

2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide (PubChem CID 170323322) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound Name2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide
PubChem CID170323322
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide
SMILESCC(N)(C(N)=O)c1cc(OC2[C@H]3CNC[C@@H]23)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN4O2/c1-19(22,18(21)25)11-6-15(10-2-4-12(20)5-3-10)24-16(7-11)26-17-13-8-23-9-14(13)17/h2-7,13-14,17,23H,8-9,22H2,1H3,(H2,21,25)/t13-,14+,17?,19?
InChIKeyBSFJUUKKXVBZFK-BQIGGSFXSA-N
XLogP1.14
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide?
The IUPAC name of 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide (CID 170323322) is 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide.
What is the SMILES notation for 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide?
The canonical SMILES for 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide is CC(N)(C(N)=O)c1cc(OC2[C@H]3CNC[C@@H]23)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide?
The InChIKey is BSFJUUKKXVBZFK-BQIGGSFXSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-19(22,18(21)25)11-6-15(10-2-4-12(20)5-3-10)24-16(7-11)26-17-13-8-23-9-14(13)17/h2-7,13-14,17,23H,8-9,22H2,1H3,(H2,21,25)/t13-,14+,17?,19?.
What are the key properties of 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide?
2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide has a molecular weight of 356.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-6-(4-fluorophenyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 170323322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).