5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide

C13H21N3O — CID 104640576

IUPAC5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccc(NC)cn1
InChIInChI=1S/C13H21N3O/c1-5-9(2)10(3)16-13(17)12-7-6-11(14-4)8-15-12/h6-10,14H,5H2,1-4H3,(H,16,17)
InChIKeyXJJQYSPJYOXKCL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds5

About 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide

5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide (PubChem CID 104640576) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
PubChem CID104640576
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccc(NC)cn1
InChIInChI=1S/C13H21N3O/c1-5-9(2)10(3)16-13(17)12-7-6-11(14-4)8-15-12/h6-10,14H,5H2,1-4H3,(H,16,17)
InChIKeyXJJQYSPJYOXKCL-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide
CID 104639887
5-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027811
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641127
5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
N-(dicyclopropylmethyl)-5-(methylamino)pyridine-2-carboxamide
CID 113436148
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-hydrazinyl-N-(3-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107377765
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641051
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
N-(3-ethylpentan-2-yl)-4-(methylamino)pyridine-2-carboxamide
CID 63838456

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide (CID 104640576) is 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide is CCC(C)C(C)NC(=O)c1ccc(NC)cn1.
What is the InChIKey of 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide?
The InChIKey is XJJQYSPJYOXKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-9(2)10(3)16-13(17)12-7-6-11(14-4)8-15-12/h6-10,14H,5H2,1-4H3,(H,16,17).
What are the key properties of 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide?
5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104640576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).