N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide

C15H16N4O4S — CID 140582644

IUPACN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H16N4O4S/c1-24(22,23)14-8-11(4-7-18-14)12(9-13(16)20)19-15(21)10-2-5-17-6-3-10/h2-8,12H,9H2,1H3,(H2,16,20)(H,19,21)/t12-/m0/s1
InChIKeyKGVORZQSXAXHGQ-LBPRGKRZSA-N
MW348.38 g/mol
LogP0.23
Rot. Bonds6

About N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide

N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 140582644) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
PubChem CID140582644
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H16N4O4S/c1-24(22,23)14-8-11(4-7-18-14)12(9-13(16)20)19-15(21)10-2-5-17-6-3-10/h2-8,12H,9H2,1H3,(H2,16,20)(H,19,21)/t12-/m0/s1
InChIKeyKGVORZQSXAXHGQ-LBPRGKRZSA-N
XLogP0.23
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]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-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582708
N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582673
N-[1-(2-ethylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582653
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
N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide
CID 140582840
1-(2-methylsulfonyl-4-pyridinyl)ethanamine
CID 68653792
tert-butyl N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]carbamate
CID 59278290
N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582728
(3S)-3-(3-bromophenyl)-3-(pyridine-4-carbonylamino)propanoic acid
CID 97324068
2-methylsulfonylpyridine-4-carbothioamide
CID 47003466
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide (CID 140582644) is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide is CS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2ccncc2)ccn1.
What is the InChIKey of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is KGVORZQSXAXHGQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-24(22,23)14-8-11(4-7-18-14)12(9-13(16)20)19-15(21)10-2-5-17-6-3-10/h2-8,12H,9H2,1H3,(H2,16,20)(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide?
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).