N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide

C27H26N4O3 — CID 24960412

IUPACN-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2cc(C)nc(N3CCOCC3)c2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C27H26N4O3/c1-17-12-20(16-26(29-17)31-8-10-34-11-9-31)27(33)21-13-19(14-22(15-21)30-18(2)32)23-4-3-5-25-24(23)6-7-28-25/h3-7,12-16,28H,8-11H2,1-2H3,(H,30,32)
InChIKeyYUDPQWKGTKMYHA-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.56
Rot. Bonds5

About N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide

N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide (PubChem CID 24960412) 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-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
PubChem CID24960412
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2cc(C)nc(N3CCOCC3)c2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C27H26N4O3/c1-17-12-20(16-26(29-17)31-8-10-34-11-9-31)27(33)21-13-19(14-22(15-21)30-18(2)32)23-4-3-5-25-24(23)6-7-28-25/h3-7,12-16,28H,8-11H2,1-2H3,(H,30,32)
InChIKeyYUDPQWKGTKMYHA-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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Related Compounds

N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
CID 69240235
N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
CID 91548617
N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide
CID 15603079
4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
CID 71721536
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064
4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25114655
N-[3-(6-ethoxy-3-pyridinyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25115108
1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 25098228
4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
CID 25097394
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide (CID 24960412) is N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)c2cc(C)nc(N3CCOCC3)c2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
The InChIKey is YUDPQWKGTKMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-17-12-20(16-26(29-17)31-8-10-34-11-9-31)27(33)21-13-19(14-22(15-21)30-18(2)32)23-4-3-5-25-24(23)6-7-28-25/h3-7,12-16,28H,8-11H2,1-2H3,(H,30,32).
What are the key properties of N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide?
N-[3-(1H-indol-4-yl)-5-(2-methyl-6-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-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 24960412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).