tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate

C14H21N3O5S — CID 126832517

IUPACtert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate
SMILESCN(CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O5S/c1-14(2,3)22-13(19)10-6-7-11(15-8-10)16-12(18)9-17(4)23(5,20)21/h6-8H,9H2,1-5H3,(H,15,16,18)
InChIKeyDQMXPLAEOLYHBF-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.87
Rot. Bonds5

About tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate

tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate (PubChem CID 126832517) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate
PubChem CID126832517
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Nametert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate
SMILESCN(CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O5S/c1-14(2,3)22-13(19)10-6-7-11(15-8-10)16-12(18)9-17(4)23(5,20)21/h6-8H,9H2,1-5H3,(H,15,16,18)
InChIKeyDQMXPLAEOLYHBF-UHFFFAOYSA-N
XLogP0.87
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-aminopyridine-3-carboxylate
CID 12433260
Ethyl 2-(benzoylamino)nicotinate
CID 302495
Ethyl 6-Aminonicotinate
CID 235927
2-(2,2-Dimethylpropanamido)pyridine-3-carboxylic acid
CID 2779758
Methyl 2-{[(isopropylamino)carbonothioyl]amino}nicotinate
CID 4275504
Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 9859497
Ethyl 2-(methylamino)pyridine-3-carboxylate
CID 13466154
2-{[(Tert-butoxy)carbonyl]amino}pyridine-3-carboxylic acid
CID 20623655
6-(Acetylamino)nicotinic acid
CID 419744
Ethyl 2-(isonicotinoylamino)nicotinate
CID 901889
Methyl 6-((tert-butoxycarbonyl)amino)nicotinate
CID 2764194
Methyl 6-hexadecylamino-3-pyridinecarboxylate
CID 20503576

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate (CID 126832517) is tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate is CN(CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)S(C)(=O)=O.
What is the InChIKey of tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate?
The InChIKey is DQMXPLAEOLYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-14(2,3)22-13(19)10-6-7-11(15-8-10)16-12(18)9-17(4)23(5,20)21/h6-8H,9H2,1-5H3,(H,15,16,18).
What are the key properties of tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate?
tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 126832517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).