4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide

C12H19N3O — CID 81240046

IUPAC4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
SMILESCCC(C)CNC(=O)c1cnc(C)cc1N
InChIInChI=1S/C12H19N3O/c1-4-8(2)6-15-12(16)10-7-14-9(3)5-11(10)13/h5,7-8H,4,6H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyBUSULYSRQTXAIR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide

4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide (PubChem CID 81240046) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
PubChem CID81240046
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
SMILESCCC(C)CNC(=O)c1cnc(C)cc1N
InChIInChI=1S/C12H19N3O/c1-4-8(2)6-15-12(16)10-7-14-9(3)5-11(10)13/h5,7-8H,4,6H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyBUSULYSRQTXAIR-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-ethoxypropyl)-6-methylpyridine-3-carboxamide
CID 113478178
4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817984
4-amino-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114101892
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
4-amino-N,N-diethyl-6-methylpyridine-3-carboxamide
CID 81236376
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
2-amino-N-(2-methylbutyl)pyridine-3-carboxamide
CID 62692946
4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide
CID 107871048
4-amino-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342544
4-amino-6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240424
4-amino-N-[(1-cyclopropylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114096808

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide (CID 81240046) is 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide is CCC(C)CNC(=O)c1cnc(C)cc1N.
What is the InChIKey of 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
The InChIKey is BUSULYSRQTXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-8(2)6-15-12(16)10-7-14-9(3)5-11(10)13/h5,7-8H,4,6H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 81240046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).