N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide

C15H17N3O3S — CID 138017482

IUPACN-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(S(C)(=O)=O)nc1)c1cccnc1C
InChIInChI=1S/C15H17N3O3S/c1-4-18(13-6-5-9-16-11(13)2)15(19)12-7-8-14(17-10-12)22(3,20)21/h5-10H,4H2,1-3H3
InChIKeyYHWNRSUVFIOGLC-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide

N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide (PubChem CID 138017482) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide
PubChem CID138017482
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(S(C)(=O)=O)nc1)c1cccnc1C
InChIInChI=1S/C15H17N3O3S/c1-4-18(13-6-5-9-16-11(13)2)15(19)12-7-8-14(17-10-12)22(3,20)21/h5-10H,4H2,1-3H3
InChIKeyYHWNRSUVFIOGLC-UHFFFAOYSA-N
XLogP1.86
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414865
N,4-diethyl-N-(2-methyl-3-pyridinyl)-1,3-oxazole-5-carboxamide
CID 146142872
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide
CID 138027662
N,N-bis(2-methyl-3-pyridinyl)acetamide
CID 123651187
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
6-chloro-N-ethyl-N-(5-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 107856541
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
methyl-(2-methyl-3-pyridinyl)carbamic acid
CID 54053893
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide (CID 138017482) is N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide is CCN(C(=O)c1ccc(S(C)(=O)=O)nc1)c1cccnc1C.
What is the InChIKey of N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide?
The InChIKey is YHWNRSUVFIOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-4-18(13-6-5-9-16-11(13)2)15(19)12-7-8-14(17-10-12)22(3,20)21/h5-10H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide?
N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 138017482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).