3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide

C13H21N3O3S — CID 105070656

IUPAC3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-5-15-11-8-14-7-6-10(11)12(17)16-9-13(2,3)20(4,18)19/h6-8,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyPVUCTFOORFGDFK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.07
Rot. Bonds6

About 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide

3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide (PubChem CID 105070656) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
PubChem CID105070656
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-5-15-11-8-14-7-6-10(11)12(17)16-9-13(2,3)20(4,18)19/h6-8,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyPVUCTFOORFGDFK-UHFFFAOYSA-N
XLogP1.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 105070214
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
3-(ethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 105069649
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide (CID 105070656) is 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The InChIKey is PVUCTFOORFGDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-15-11-8-14-7-6-10(11)12(17)16-9-13(2,3)20(4,18)19/h6-8,15H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105070656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).