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

C22H25N3O3 — CID 118714184

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCCC4)c3c2)cc1OC
InChIInChI=1S/C22H25N3O3/c1-27-19-9-8-15(11-20(19)28-2)16-10-17-18(13-24-21(17)23-12-16)25-22(26)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQVADIDYLQUXJQI-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.77
Rot. Bonds5

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

N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 118714184) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
PubChem CID118714184
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCCC4)c3c2)cc1OC
InChIInChI=1S/C22H25N3O3/c1-27-19-9-8-15(11-20(19)28-2)16-10-17-18(13-24-21(17)23-12-16)25-22(26)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQVADIDYLQUXJQI-UHFFFAOYSA-N
XLogP4.77
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide (CID 118714184) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide is COc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCCC4)c3c2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is QVADIDYLQUXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-19-9-8-15(11-20(19)28-2)16-10-17-18(13-24-21(17)23-12-16)25-22(26)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.77, 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]cyclohexanecarboxamide is sourced from PubChem (CID 118714184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).