N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

C23H23N5O2 — CID 139503843

IUPACN-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cccc(C4CCOC4)n3)cn(C3CC(C#N)C3)c2cn1
InChIInChI=1S/C23H23N5O2/c1-14(29)26-23-9-18-19(21-4-2-3-20(27-21)16-5-6-30-13-16)12-28(22(18)11-25-23)17-7-15(8-17)10-24/h2-4,9,11-12,15-17H,5-8,13H2,1H3,(H,25,26,29)
InChIKeyMNBOZRAYRCCICX-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139503843) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139503843
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cccc(C4CCOC4)n3)cn(C3CC(C#N)C3)c2cn1
InChIInChI=1S/C23H23N5O2/c1-14(29)26-23-9-18-19(21-4-2-3-20(27-21)16-5-6-30-13-16)12-28(22(18)11-25-23)17-7-15(8-17)10-24/h2-4,9,11-12,15-17H,5-8,13H2,1H3,(H,25,26,29)
InChIKeyMNBOZRAYRCCICX-UHFFFAOYSA-N
XLogP4.04
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139503843) is N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cccc(C4CCOC4)n3)cn(C3CC(C#N)C3)c2cn1.
What is the InChIKey of N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is MNBOZRAYRCCICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14(29)26-23-9-18-19(21-4-2-3-20(27-21)16-5-6-30-13-16)12-28(22(18)11-25-23)17-7-15(8-17)10-24/h2-4,9,11-12,15-17H,5-8,13H2,1H3,(H,25,26,29).
What are the key properties of N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139503843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).