3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide

C18H14N4O2 — CID 176661301

IUPAC3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide
SMILESN#Cc1ccc(-n2c(CCC(N)=O)cc3cc(C=O)cnc32)cc1
InChIInChI=1S/C18H14N4O2/c19-9-12-1-3-15(4-2-12)22-16(5-6-17(20)24)8-14-7-13(11-23)10-21-18(14)22/h1-4,7-8,10-11H,5-6H2,(H2,20,24)
InChIKeyGKMJKCBJGALKGN-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.13
Rot. Bonds5

About 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide

3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide (PubChem CID 176661301) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide
PubChem CID176661301
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide
SMILESN#Cc1ccc(-n2c(CCC(N)=O)cc3cc(C=O)cnc32)cc1
InChIInChI=1S/C18H14N4O2/c19-9-12-1-3-15(4-2-12)22-16(5-6-17(20)24)8-14-7-13(11-23)10-21-18(14)22/h1-4,7-8,10-11H,5-6H2,(H2,20,24)
InChIKeyGKMJKCBJGALKGN-UHFFFAOYSA-N
XLogP2.13
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-cyanophenyl)-5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-2-yl]butanoic acid
CID 175510931
4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 156810789
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
CID 163260904
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
4,4-difluoro-1-methylpiperidine;4-[6-formyl-2-(5-hydroxy-5-methylhex-1-ynyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 177185571
3-(5-formylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile;1-methylpiperidine
CID 163260793
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301752
ethyl 3-[1-(4-cyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]butanoate
CID 118078486
3-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanamide
CID 118078533
4-formylbenzonitrile;methane
CID 143070509
3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
CID 118978778
ethane;methyl 3-(4-cyanophenyl)triazolo[4,5-b]pyridine-6-carboxylate
CID 167448453

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide?
The IUPAC name of 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide (CID 176661301) is 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide?
The canonical SMILES for 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide is N#Cc1ccc(-n2c(CCC(N)=O)cc3cc(C=O)cnc32)cc1.
What is the InChIKey of 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide?
The InChIKey is GKMJKCBJGALKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-9-12-1-3-15(4-2-12)22-16(5-6-17(20)24)8-14-7-13(11-23)10-21-18(14)22/h1-4,7-8,10-11H,5-6H2,(H2,20,24).
What are the key properties of 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide?
3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide has a molecular weight of 318.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 176661301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).