3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide

C12H19ClN4O3S — CID 63863169

IUPAC3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C12H19ClN4O3S/c1-12(2,17-21(4,19)20)7-15-11(18)10-8(13)5-6-9(14-3)16-10/h5-6,17H,7H2,1-4H3,(H,14,16)(H,15,18)
InChIKeyCMNZPISEQODIJA-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.83
Rot. Bonds6

About 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide (PubChem CID 63863169) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide
PubChem CID63863169
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C12H19ClN4O3S/c1-12(2,17-21(4,19)20)7-15-11(18)10-8(13)5-6-9(14-3)16-10/h5-6,17H,7H2,1-4H3,(H,14,16)(H,15,18)
InChIKeyCMNZPISEQODIJA-UHFFFAOYSA-N
XLogP0.83
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63863725
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
3-chloro-N-(4-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62167458
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide (CID 63863169) is 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCC(C)(C)NS(C)(=O)=O)n1.
What is the InChIKey of 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is CMNZPISEQODIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-12(2,17-21(4,19)20)7-15-11(18)10-8(13)5-6-9(14-3)16-10/h5-6,17H,7H2,1-4H3,(H,14,16)(H,15,18).
What are the key properties of 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63863169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).