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

C15H18N4O3S — CID 140582708

IUPACN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CCN)NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)14-10-12(5-9-18-14)13(2-6-16)19-15(20)11-3-7-17-8-4-11/h3-5,7-10,13H,2,6,16H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyUPTSFPXTPPMXBH-ZDUSSCGKSA-N
MW334.40 g/mol
LogP0.70
Rot. Bonds6

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

N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide (PubChem CID 140582708) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
PubChem CID140582708
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CCN)NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)14-10-12(5-9-18-14)13(2-6-16)19-15(20)11-3-7-17-8-4-11/h3-5,7-10,13H,2,6,16H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyUPTSFPXTPPMXBH-ZDUSSCGKSA-N
XLogP0.70
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582673
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
CID 140582644
N-[1-(2-ethylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582653
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158469598
N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
CID 140582609
N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide
CID 140582840
N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582675
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
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide (CID 140582708) is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide is CS(=O)(=O)c1cc([C@H](CCN)NC(=O)c2ccncc2)ccn1.
What is the InChIKey of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
The InChIKey is UPTSFPXTPPMXBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-23(21,22)14-10-12(5-9-18-14)13(2-6-16)19-15(20)11-3-7-17-8-4-11/h3-5,7-10,13H,2,6,16H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.70, 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)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).