N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide

C15H21N3O — CID 53145138

IUPACN-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
SMILESCCCn1cc(CCNC(=O)CC)c2cccnc21
InChIInChI=1S/C15H21N3O/c1-3-10-18-11-12(7-9-16-14(19)4-2)13-6-5-8-17-15(13)18/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,16,19)
InChIKeyMTMTXJHLXAPLRS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide

N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide (PubChem CID 53145138) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
PubChem CID53145138
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
SMILESCCCn1cc(CCNC(=O)CC)c2cccnc21
InChIInChI=1S/C15H21N3O/c1-3-10-18-11-12(7-9-16-14(19)4-2)13-6-5-8-17-15(13)18/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,16,19)
InChIKeyMTMTXJHLXAPLRS-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144667
(3R)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95095657
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144876
2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859
N-[2-(5-methyl-1-propylindol-3-yl)ethyl]propanamide
CID 122425297
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide (CID 53145138) is N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide is CCCn1cc(CCNC(=O)CC)c2cccnc21.
What is the InChIKey of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide?
The InChIKey is MTMTXJHLXAPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-10-18-11-12(7-9-16-14(19)4-2)13-6-5-8-17-15(13)18/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide?
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 53145138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).