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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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).