N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide

C14H15N3O — CID 146108760

IUPACN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C14H15N3O/c1-3-5-13(18)15-9-7-11-10-17(2)14-12(11)6-4-8-16-14/h4,6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyMWXQAOUXXMYZRB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.26
Rot. Bonds3

About N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide

N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide (PubChem CID 146108760) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
PubChem CID146108760
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C14H15N3O/c1-3-5-13(18)15-9-7-11-10-17(2)14-12(11)6-4-8-16-14/h4,6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyMWXQAOUXXMYZRB-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 53145071
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-5-carboxamide
CID 167971896
2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 166364292

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide?
The IUPAC name of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide (CID 146108760) is N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide.
What is the SMILES notation for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide?
The canonical SMILES for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide is CC#CC(=O)NCCc1cn(C)c2ncccc12.
What is the InChIKey of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide?
The InChIKey is MWXQAOUXXMYZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-5-13(18)15-9-7-11-10-17(2)14-12(11)6-4-8-16-14/h4,6,8,10H,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide?
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide has a molecular weight of 241.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide is sourced from PubChem (CID 146108760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).