N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C21H24N4O2 — CID 53161279

IUPACN-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCc1cccc(CNC(=O)Cn2ccc3ccc(N4CCOCC4)nc32)c1
InChIInChI=1S/C21H24N4O2/c1-16-3-2-4-17(13-16)14-22-20(26)15-25-8-7-18-5-6-19(23-21(18)25)24-9-11-27-12-10-24/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)
InChIKeyBMTMBLQHXVZMES-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 53161279) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID53161279
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCc1cccc(CNC(=O)Cn2ccc3ccc(N4CCOCC4)nc32)c1
InChIInChI=1S/C21H24N4O2/c1-16-3-2-4-17(13-16)14-22-20(26)15-25-8-7-18-5-6-19(23-21(18)25)24-9-11-27-12-10-24/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)
InChIKeyBMTMBLQHXVZMES-UHFFFAOYSA-N
XLogP2.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161307
2-[6-(azepan-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 53161277
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108996983
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
CID 75370700
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976210
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 53161279) is N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is Cc1cccc(CNC(=O)Cn2ccc3ccc(N4CCOCC4)nc32)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is BMTMBLQHXVZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-3-2-4-17(13-16)14-22-20(26)15-25-8-7-18-5-6-19(23-21(18)25)24-9-11-27-12-10-24/h2-8,13H,9-12,14-15H2,1H3,(H,22,26).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 53161279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).