N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide

C10H15N3O3S — CID 56754841

IUPACN-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cccnc1)S(C)(=O)=O
InChIInChI=1S/C10H15N3O3S/c1-13(17(2,15)16)7-6-12-10(14)9-4-3-5-11-8-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeyKLXDIVIDVMWTRN-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.30
Rot. Bonds5

About N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 56754841) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID56754841
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cccnc1)S(C)(=O)=O
InChIInChI=1S/C10H15N3O3S/c1-13(17(2,15)16)7-6-12-10(14)9-4-3-5-11-8-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeyKLXDIVIDVMWTRN-UHFFFAOYSA-N
XLogP-0.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide (CID 56754841) is N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide is CN(CCNC(=O)c1cccnc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is KLXDIVIDVMWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13(17(2,15)16)7-6-12-10(14)9-4-3-5-11-8-9/h3-5,8H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 56754841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).