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

C20H21ClN4O2 — CID 53161307

IUPACN-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(N3CCOCC3)nc21)NCc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c21-17-3-1-2-15(12-17)13-22-19(26)14-25-7-6-16-4-5-18(23-20(16)25)24-8-10-27-11-9-24/h1-7,12H,8-11,13-14H2,(H,22,26)
InChIKeyXXYXCUIOHICKQM-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.84
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 53161307) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID53161307
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(N3CCOCC3)nc21)NCc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c21-17-3-1-2-15(12-17)13-22-19(26)14-25-7-6-16-4-5-18(23-20(16)25)24-8-10-27-11-9-24/h1-7,12H,8-11,13-14H2,(H,22,26)
InChIKeyXXYXCUIOHICKQM-UHFFFAOYSA-N
XLogP2.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161279
N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841318
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889627
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78766726
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111896
3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579651
N-cyclopentyl-2-(6-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161251
N-[(3-chlorophenyl)methyl]-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 91833492
3-indol-1-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 18139649

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 53161307) is N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is XXYXCUIOHICKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-17-3-1-2-15(12-17)13-22-19(26)14-25-7-6-16-4-5-18(23-20(16)25)24-8-10-27-11-9-24/h1-7,12H,8-11,13-14H2,(H,22,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 384.87 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 53161307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).