N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide

C21H23N3O3 — CID 155537883

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCC4)c3c2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-18-8-7-14(10-19(18)27-2)15-9-16-17(12-23-20(16)22-11-15)24-21(25)13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyITYGLUZPSQPXQS-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.38
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide

N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide (PubChem CID 155537883) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
PubChem CID155537883
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCC4)c3c2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-18-8-7-14(10-19(18)27-2)15-9-16-17(12-23-20(16)22-11-15)24-21(25)13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyITYGLUZPSQPXQS-UHFFFAOYSA-N
XLogP4.38
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 46234350
5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029981
N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602778
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide (CID 155537883) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide is COc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCC4)c3c2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
The InChIKey is ITYGLUZPSQPXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-18-8-7-14(10-19(18)27-2)15-9-16-17(12-23-20(16)22-11-15)24-21(25)13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 155537883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).