2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide

C18H26N4O — CID 53144407

IUPAC2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCn1cc(CC(=O)NCCCN2CCCCC2)c2cccnc21
InChIInChI=1S/C18H26N4O/c1-21-14-15(16-7-5-8-20-18(16)21)13-17(23)19-9-6-12-22-10-3-2-4-11-22/h5,7-8,14H,2-4,6,9-13H2,1H3,(H,19,23)
InChIKeyMLMPNEGTLHBPFQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.11
Rot. Bonds6

About 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide

2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 53144407) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID53144407
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCn1cc(CC(=O)NCCCN2CCCCC2)c2cccnc21
InChIInChI=1S/C18H26N4O/c1-21-14-15(16-7-5-8-20-18(16)21)13-17(23)19-9-6-12-22-10-3-2-4-11-22/h5,7-8,14H,2-4,6,9-13H2,1H3,(H,19,23)
InChIKeyMLMPNEGTLHBPFQ-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53144310
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014071
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide (CID 53144407) is 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide is Cn1cc(CC(=O)NCCCN2CCCCC2)c2cccnc21.
What is the InChIKey of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is MLMPNEGTLHBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-14-15(16-7-5-8-20-18(16)21)13-17(23)19-9-6-12-22-10-3-2-4-11-22/h5,7-8,14H,2-4,6,9-13H2,1H3,(H,19,23).
What are the key properties of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 53144407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).