5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C21H24N4O3 — CID 25176838

IUPAC5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(C(=O)NCCN4CCOCC4)c3c2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-17-4-2-15(3-5-17)16-12-18-19(14-24-20(18)23-13-16)21(26)22-6-7-25-8-10-28-11-9-25/h2-5,12-14H,6-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyQZWOMLBTNRCSPL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.30
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 25176838) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID25176838
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(C(=O)NCCN4CCOCC4)c3c2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-17-4-2-15(3-5-17)16-12-18-19(14-24-20(18)23-13-16)21(26)22-6-7-25-8-10-28-11-9-25/h2-5,12-14H,6-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyQZWOMLBTNRCSPL-UHFFFAOYSA-N
XLogP2.30
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
CID 11511166
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
8-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 53188926
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
6-[(4-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154112
3-(6-methoxynaphthalen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indazole-5-carboxamide
CID 25257366
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 25176838) is 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccc(-c2cnc3[nH]cc(C(=O)NCCN4CCOCC4)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is QZWOMLBTNRCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-17-4-2-15(3-5-17)16-12-18-19(14-24-20(18)23-13-16)21(26)22-6-7-25-8-10-28-11-9-25/h2-5,12-14H,6-11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 25176838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).