N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide

C21H26N4O4S — CID 55903591

IUPACN-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H26N4O4S/c1-2-13-30(28,29)25-12-4-7-19(25)21(27)23-15-16-5-3-6-18(14-16)24-20(26)17-8-10-22-11-9-17/h3,5-6,8-11,14,19H,2,4,7,12-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyWBAPKJXZJLSZHK-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.15
Rot. Bonds8

About N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903591) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903591
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H26N4O4S/c1-2-13-30(28,29)25-12-4-7-19(25)21(27)23-15-16-5-3-6-18(14-16)24-20(26)17-8-10-22-11-9-17/h3,5-6,8-11,14,19H,2,4,7,12-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyWBAPKJXZJLSZHK-UHFFFAOYSA-N
XLogP2.15
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55893300
1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55978346
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47070233
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 55903591) is N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is WBAPKJXZJLSZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-2-13-30(28,29)25-12-4-7-19(25)21(27)23-15-16-5-3-6-18(14-16)24-20(26)17-8-10-22-11-9-17/h3,5-6,8-11,14,19H,2,4,7,12-13,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).