N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

C18H26N4O3S — CID 55955991

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCCN(CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C)S(C)(=O)=O
InChIInChI=1S/C18H26N4O3S/c1-5-21(26(4,24)25)12-8-11-20-18(23)16-13-14(2)22(15(16)3)17-9-6-7-10-19-17/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,20,23)
InChIKeyIXFYBFNEHFIEOX-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.89
Rot. Bonds8

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 55955991) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID55955991
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCCN(CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C)S(C)(=O)=O
InChIInChI=1S/C18H26N4O3S/c1-5-21(26(4,24)25)12-8-11-20-18(23)16-13-14(2)22(15(16)3)17-9-6-7-10-19-17/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,20,23)
InChIKeyIXFYBFNEHFIEOX-UHFFFAOYSA-N
XLogP1.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634814
2,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 119393360
N-[3-(4-benzylpiperazin-1-yl)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634446
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 47030090
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
N-[[3-(diethylaminomethyl)phenyl]methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55855567
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide
CID 55633991
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 111119746
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (CID 55955991) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is CCN(CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is IXFYBFNEHFIEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-5-21(26(4,24)25)12-8-11-20-18(23)16-13-14(2)22(15(16)3)17-9-6-7-10-19-17/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,20,23).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55955991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).