5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide

C13H20ClN3O — CID 103464504

IUPAC5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-5-13(2,3)8-17-12(18)9-6-10(14)11(15-4)16-7-9/h6-7H,5,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyVTYDVHZHHZXHSR-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.94
Rot. Bonds5

About 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 103464504) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID103464504
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-5-13(2,3)8-17-12(18)9-6-10(14)11(15-4)16-7-9/h6-7H,5,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyVTYDVHZHHZXHSR-UHFFFAOYSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106098399
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide (CID 103464504) is 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide is CCC(C)(C)CNC(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is VTYDVHZHHZXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-5-13(2,3)8-17-12(18)9-6-10(14)11(15-4)16-7-9/h6-7H,5,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 103464504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).