N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide

C41H47FN4O5 — CID 123158735

IUPACN-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2ccc(C3CCC(C(C)NC(=O)c4ccc(COc5ccccc5)nc4)CC3)c(F)c2)nc1)C1CCOCC1
InChIInChI=1S/C41H47FN4O5/c1-27(45-40(47)32-12-14-34(43-23-32)25-50-36-6-4-3-5-7-36)29-8-10-31(11-9-29)38-17-16-37(22-39(38)42)51-26-35-15-13-33(24-44-35)41(48)46-28(2)30-18-20-49-21-19-30/h3-7,12-17,22-24,27-31H,8-11,18-21,25-26H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyOYFHBSONACVPIP-UHFFFAOYSA-N
MW694.85 g/mol
LogP7.41
Rot. Bonds13

About N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide

N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide (PubChem CID 123158735) has the molecular formula C41H47FN4O5 and a molecular weight of 694.85 g/mol. Its IUPAC name is N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide
PubChem CID123158735
Molecular FormulaC41H47FN4O5
Molecular Weight694.85 g/mol
Exact Mass694.35
IUPAC NameN-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2ccc(C3CCC(C(C)NC(=O)c4ccc(COc5ccccc5)nc4)CC3)c(F)c2)nc1)C1CCOCC1
InChIInChI=1S/C41H47FN4O5/c1-27(45-40(47)32-12-14-34(43-23-32)25-50-36-6-4-3-5-7-36)29-8-10-31(11-9-29)38-17-16-37(22-39(38)42)51-26-35-15-13-33(24-44-35)41(48)46-28(2)30-18-20-49-21-19-30/h3-7,12-17,22-24,27-31H,8-11,18-21,25-26H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyOYFHBSONACVPIP-UHFFFAOYSA-N
XLogP7.41
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.85
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide (CID 123158735) is N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2ccc(C3CCC(C(C)NC(=O)c4ccc(COc5ccccc5)nc4)CC3)c(F)c2)nc1)C1CCOCC1.
What is the InChIKey of N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide?
The InChIKey is OYFHBSONACVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47FN4O5/c1-27(45-40(47)32-12-14-34(43-23-32)25-50-36-6-4-3-5-7-36)29-8-10-31(11-9-29)38-17-16-37(22-39(38)42)51-26-35-15-13-33(24-44-35)41(48)46-28(2)30-18-20-49-21-19-30/h3-7,12-17,22-24,27-31H,8-11,18-21,25-26H2,1-2H3,(H,45,47)(H,46,48).
What are the key properties of N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide?
N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide has a molecular weight of 694.85 g/mol, XLogP of 7.41, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-fluoro-4-[[5-[1-(oxan-4-yl)ethylcarbamoyl]-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123158735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).