N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide

C28H32FN5O4 — CID 168928387

IUPACN-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)NC4CCCCC4)c(F)cc3C)cc(OCCO)n2)ccn1
InChIInChI=1S/C28H32FN5O4/c1-17-12-23(29)25(34-28(37)32-21-6-4-3-5-7-21)16-22(17)20-13-24(33-27(15-20)38-11-10-35)19-8-9-30-26(14-19)31-18(2)36/h8-9,12-16,21,35H,3-7,10-11H2,1-2H3,(H,30,31,36)(H2,32,34,37)
InChIKeyUWTSXMYNFACDJH-UHFFFAOYSA-N
MW521.59 g/mol
LogP5.04
Rot. Bonds8

About N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide

N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 168928387) has the molecular formula C28H32FN5O4 and a molecular weight of 521.59 g/mol. Its IUPAC name is N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID168928387
Molecular FormulaC28H32FN5O4
Molecular Weight521.59 g/mol
Exact Mass521.24
IUPAC NameN-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)NC4CCCCC4)c(F)cc3C)cc(OCCO)n2)ccn1
InChIInChI=1S/C28H32FN5O4/c1-17-12-23(29)25(34-28(37)32-21-6-4-3-5-7-21)16-22(17)20-13-24(33-27(15-20)38-11-10-35)19-8-9-30-26(14-19)31-18(2)36/h8-9,12-16,21,35H,3-7,10-11H2,1-2H3,(H,30,31,36)(H2,32,34,37)
InChIKeyUWTSXMYNFACDJH-UHFFFAOYSA-N
XLogP5.04
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.59
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide (CID 168928387) is N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)NC4CCCCC4)c(F)cc3C)cc(OCCO)n2)ccn1.
What is the InChIKey of N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is UWTSXMYNFACDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O4/c1-17-12-23(29)25(34-28(37)32-21-6-4-3-5-7-21)16-22(17)20-13-24(33-27(15-20)38-11-10-35)19-8-9-30-26(14-19)31-18(2)36/h8-9,12-16,21,35H,3-7,10-11H2,1-2H3,(H,30,31,36)(H2,32,34,37).
What are the key properties of N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 521.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(cyclohexylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 168928387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).