N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide

C26H27FN4O — CID 18414515

IUPACN-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
SMILESNc1cccc(-c2ccc(CCN3CC4C(C3)C4NC(=O)Cc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H27FN4O/c27-20-10-6-18(7-11-20)14-25(32)30-26-21-15-31(16-22(21)26)13-12-17-4-8-19(9-5-17)23-2-1-3-24(28)29-23/h1-11,21-22,26H,12-16H2,(H2,28,29)(H,30,32)
InChIKeyMDOKJCFKBKWQLL-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.30
Rot. Bonds7

About N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide

N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 18414515) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
PubChem CID18414515
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC NameN-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
SMILESNc1cccc(-c2ccc(CCN3CC4C(C3)C4NC(=O)Cc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H27FN4O/c27-20-10-6-18(7-11-20)14-25(32)30-26-21-15-31(16-22(21)26)13-12-17-4-8-19(9-5-17)23-2-1-3-24(28)29-23/h1-11,21-22,26H,12-16H2,(H2,28,29)(H,30,32)
InChIKeyMDOKJCFKBKWQLL-UHFFFAOYSA-N
XLogP3.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
CID 18414488
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394
3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 18414455
N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 70006888
N-[6-[4-(6-amino-2-pyridinyl)phenyl]-4-iminohexan-2-yl]-2-(4-fluorophenyl)acetamide
CID 174378498
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide
CID 18411873
2,4-bis[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-1,5-bis(4-chlorophenyl)pentan-3-one
CID 151062106
8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 18414542
6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 57257291
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
6-[4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414414

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide (CID 18414515) is N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide is Nc1cccc(-c2ccc(CCN3CC4C(C3)C4NC(=O)Cc3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is MDOKJCFKBKWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c27-20-10-6-18(7-11-20)14-25(32)30-26-21-15-31(16-22(21)26)13-12-17-4-8-19(9-5-17)23-2-1-3-24(28)29-23/h1-11,21-22,26H,12-16H2,(H2,28,29)(H,30,32).
What are the key properties of N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide?
N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 430.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18414515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).