N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide

C27H26N4O3 — CID 53318096

IUPACN-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2c(C)cncc2N2CCOCC2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C27H26N4O3/c1-17-15-28-16-25(31-8-10-34-11-9-31)26(17)27(33)20-12-19(13-21(14-20)30-18(2)32)22-4-3-5-24-23(22)6-7-29-24/h3-7,12-16,29H,8-11H2,1-2H3,(H,30,32)
InChIKeyWKEYJMCOUYMWAC-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.56
Rot. Bonds5

About N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide

N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide (PubChem CID 53318096) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
PubChem CID53318096
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2c(C)cncc2N2CCOCC2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C27H26N4O3/c1-17-15-28-16-25(31-8-10-34-11-9-31)26(17)27(33)20-12-19(13-21(14-20)30-18(2)32)22-4-3-5-24-23(22)6-7-29-24/h3-7,12-16,29H,8-11H2,1-2H3,(H,30,32)
InChIKeyWKEYJMCOUYMWAC-UHFFFAOYSA-N
XLogP4.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide (CID 53318096) is N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)c2c(C)cncc2N2CCOCC2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
The InChIKey is WKEYJMCOUYMWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-17-15-28-16-25(31-8-10-34-11-9-31)26(17)27(33)20-12-19(13-21(14-20)30-18(2)32)22-4-3-5-24-23(22)6-7-29-24/h3-7,12-16,29H,8-11H2,1-2H3,(H,30,32).
What are the key properties of N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-4-yl)-5-(3-methyl-5-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 53318096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).