3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide

C31H37FN4O2 — CID 142775268

IUPAC3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide
SMILESCCc1ccc(CN2CC3C(C2)C3CC2(c3ccc(N4CCOCC4)c(F)c3)C=NC=CC2C(N)=O)cc1
InChIInChI=1S/C31H37FN4O2/c1-2-21-3-5-22(6-4-21)17-35-18-25-24(26(25)19-35)16-31(20-34-10-9-27(31)30(33)37)23-7-8-29(28(32)15-23)36-11-13-38-14-12-36/h3-10,15,20,24-27H,2,11-14,16-19H2,1H3,(H2,33,37)
InChIKeyYTIQJCPMCTWYIL-UHFFFAOYSA-N
MW516.66 g/mol
LogP3.93
Rot. Bonds8

About 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide

3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide (PubChem CID 142775268) has the molecular formula C31H37FN4O2 and a molecular weight of 516.66 g/mol. Its IUPAC name is 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide
PubChem CID142775268
Molecular FormulaC31H37FN4O2
Molecular Weight516.66 g/mol
Exact Mass516.29
IUPAC Name3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide
SMILESCCc1ccc(CN2CC3C(C2)C3CC2(c3ccc(N4CCOCC4)c(F)c3)C=NC=CC2C(N)=O)cc1
InChIInChI=1S/C31H37FN4O2/c1-2-21-3-5-22(6-4-21)17-35-18-25-24(26(25)19-35)16-31(20-34-10-9-27(31)30(33)37)23-7-8-29(28(32)15-23)36-11-13-38-14-12-36/h3-10,15,20,24-27H,2,11-14,16-19H2,1H3,(H2,33,37)
InChIKeyYTIQJCPMCTWYIL-UHFFFAOYSA-N
XLogP3.93
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.66
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide?
The IUPAC name of 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide (CID 142775268) is 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide.
What is the SMILES notation for 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide?
The canonical SMILES for 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide is CCc1ccc(CN2CC3C(C2)C3CC2(c3ccc(N4CCOCC4)c(F)c3)C=NC=CC2C(N)=O)cc1.
What is the InChIKey of 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide?
The InChIKey is YTIQJCPMCTWYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN4O2/c1-2-21-3-5-22(6-4-21)17-35-18-25-24(26(25)19-35)16-31(20-34-10-9-27(31)30(33)37)23-7-8-29(28(32)15-23)36-11-13-38-14-12-36/h3-10,15,20,24-27H,2,11-14,16-19H2,1H3,(H2,33,37).
What are the key properties of 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide?
3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide has a molecular weight of 516.66 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-4H-pyridine-4-carboxamide is sourced from PubChem (CID 142775268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).