N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide

C16H19N3O3S — CID 140582673

IUPACN-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1ccncc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-4-14(19-16(20)12-5-8-17-9-6-12)13-7-10-18-15(11-13)23(2,21)22/h5-11,14H,3-4H2,1-2H3,(H,19,20)
InChIKeyDRKUONLZGDGZBB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.15
Rot. Bonds6

About N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide

N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide (PubChem CID 140582673) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
PubChem CID140582673
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1ccncc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-4-14(19-16(20)12-5-8-17-9-6-12)13-7-10-18-15(11-13)23(2,21)22/h5-11,14H,3-4H2,1-2H3,(H,19,20)
InChIKeyDRKUONLZGDGZBB-UHFFFAOYSA-N
XLogP2.15
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]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-[1-(2-ethylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582653
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582708
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
CID 140582644
N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
CID 140582609
N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582675
tert-butyl N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]carbamate
CID 59278290
N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide
CID 140582840
(2S)-3-heptan-4-ylsulfonyl-2-(pyridine-4-carbonylamino)propanoic acid
CID 69323834
N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582728
1-(2-methylsulfonyl-4-pyridinyl)ethanamine
CID 68653792
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 76524908
N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582861

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide (CID 140582673) is N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide is CCCC(NC(=O)c1ccncc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
The InChIKey is DRKUONLZGDGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-4-14(19-16(20)12-5-8-17-9-6-12)13-7-10-18-15(11-13)23(2,21)22/h5-11,14H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).