N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide

C13H17N3O — CID 170488804

IUPACN-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnc2c(c1)CCN2
InChIInChI=1S/C13H17N3O/c1-10(17)14-6-3-2-4-11-8-12-5-7-15-13(12)16-9-11/h2,4,8-9H,3,5-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRAOGBDKSULCSHJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds4

About N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide

N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide (PubChem CID 170488804) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide
PubChem CID170488804
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnc2c(c1)CCN2
InChIInChI=1S/C13H17N3O/c1-10(17)14-6-3-2-4-11-8-12-5-7-15-13(12)16-9-11/h2,4,8-9H,3,5-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRAOGBDKSULCSHJ-UHFFFAOYSA-N
XLogP1.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl] ethanethioate
CID 170480245
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine
CID 169463682
N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide
CID 170488825
N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170488142
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
4-fluorophenol;methyl (E)-3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 144944933
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)but-3-enyl]acetamide
CID 170489483
N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide
CID 170489393
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide (CID 170488804) is N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cnc2c(c1)CCN2.
What is the InChIKey of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide?
The InChIKey is RAOGBDKSULCSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)14-6-3-2-4-11-8-12-5-7-15-13(12)16-9-11/h2,4,8-9H,3,5-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide?
N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).