N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide

C17H21N3O2 — CID 153125226

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
SMILESCc1ccc(CNC(=O)C(=O)CCCc2ccccn2)n1C
InChIInChI=1S/C17H21N3O2/c1-13-9-10-15(20(13)2)12-19-17(22)16(21)8-5-7-14-6-3-4-11-18-14/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,19,22)
InChIKeyVVQYWLZOTZRRNG-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.94
Rot. Bonds7

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide (PubChem CID 153125226) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
PubChem CID153125226
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
SMILESCc1ccc(CNC(=O)C(=O)CCCc2ccccn2)n1C
InChIInChI=1S/C17H21N3O2/c1-13-9-10-15(20(13)2)12-19-17(22)16(21)8-5-7-14-6-3-4-11-18-14/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,19,22)
InChIKeyVVQYWLZOTZRRNG-UHFFFAOYSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylfuran-3-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide
CID 161021114
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-pyridin-2-ylbutanamide
CID 95174093
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
6-pyridin-2-ylhexanoate
CID 7109691
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide (CID 153125226) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide is Cc1ccc(CNC(=O)C(=O)CCCc2ccccn2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
The InChIKey is VVQYWLZOTZRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-9-10-15(20(13)2)12-19-17(22)16(21)8-5-7-14-6-3-4-11-18-14/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,19,22).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide has a molecular weight of 299.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-oxo-5-pyridin-2-ylpentanamide is sourced from PubChem (CID 153125226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).