3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide

C13H22N4O3S — CID 105070214

IUPAC3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-5-15-11-8-14-7-6-10(11)12(18)16-9-13(2,3)17-21(4,19)20/h6-8,15,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyNIWDORHLUWAXGP-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.57
Rot. Bonds7

About 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide

3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 105070214) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID105070214
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-5-15-11-8-14-7-6-10(11)12(18)16-9-13(2,3)17-21(4,19)20/h6-8,15,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyNIWDORHLUWAXGP-UHFFFAOYSA-N
XLogP0.57
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
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
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide (CID 105070214) is 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is NIWDORHLUWAXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-5-15-11-8-14-7-6-10(11)12(18)16-9-13(2,3)17-21(4,19)20/h6-8,15,17H,5,9H2,1-4H3,(H,16,18).
What are the key properties of 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 105070214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).