(E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

C15H19N3O2 — CID 118267306

IUPAC(E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESCC(C)(C)COc1ccnc2[nH]cc(/C=C/C(N)=O)c12
InChIInChI=1S/C15H19N3O2/c1-15(2,3)9-20-11-6-7-17-14-13(11)10(8-18-14)4-5-12(16)19/h4-8H,9H2,1-3H3,(H2,16,19)(H,17,18)/b5-4+
InChIKeyFCTGWPOZHPHIJF-SNAWJCMRSA-N
MW273.34 g/mol
LogP2.49
Rot. Bonds4

About (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

(E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (PubChem CID 118267306) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
PubChem CID118267306
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESCC(C)(C)COc1ccnc2[nH]cc(/C=C/C(N)=O)c12
InChIInChI=1S/C15H19N3O2/c1-15(2,3)9-20-11-6-7-17-14-13(11)10(8-18-14)4-5-12(16)19/h4-8H,9H2,1-3H3,(H2,16,19)(H,17,18)/b5-4+
InChIKeyFCTGWPOZHPHIJF-SNAWJCMRSA-N
XLogP2.49
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(2,2-dimethylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 73051906
(E)-3-[4-(1-hydroxypropan-2-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267964
3-[4-(2-hydroxy-2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 123907187
3-[4-(2-cyano-2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 123430795
(E)-3-[4-(2-cyano-2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 73051908
(Z)-4-[4-(2-hydroxy-2-methylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-isocyanobut-2-enamide
CID 140752868
3-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide
CID 123411198
2,2-dimethylpropyl 4-[7-[(E)-3-amino-3-oxoprop-1-enyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]piperazine-1-carboxylate
CID 118267353
3-[4-(1-cyanopropan-2-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 123472897
methyl 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enoate
CID 169479802
2-cyano-3-[4-(2,3-dihydroxypropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 54274379
1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 24801189

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (CID 118267306) is (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is CC(C)(C)COc1ccnc2[nH]cc(/C=C/C(N)=O)c12.
What is the InChIKey of (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The InChIKey is FCTGWPOZHPHIJF-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)9-20-11-6-7-17-14-13(11)10(8-18-14)4-5-12(16)19/h4-8H,9H2,1-3H3,(H2,16,19)(H,17,18)/b5-4+.
What are the key properties of (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
(E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2,2-dimethylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 118267306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).