N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide

C19H19N3O — CID 123870787

IUPACN-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
SMILESCCC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1
InChIInChI=1S/C19H19N3O/c1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15/h4-12H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFTTKHDMLXABWMD-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.44
Rot. Bonds4

About N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide

N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide (PubChem CID 123870787) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
PubChem CID123870787
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
SMILESCCC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1
InChIInChI=1S/C19H19N3O/c1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15/h4-12H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFTTKHDMLXABWMD-UHFFFAOYSA-N
XLogP4.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?
The IUPAC name of N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide (CID 123870787) is N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide.
What is the SMILES notation for N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?
The canonical SMILES for N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide is CCC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1.
What is the InChIKey of N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?
The InChIKey is FTTKHDMLXABWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15/h4-12H,3H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?
N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide is sourced from PubChem (CID 123870787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).