4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide

C12H19N3O — CID 81234919

IUPAC4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(C)cc1N
InChIInChI=1S/C12H19N3O/c1-4-5-6-15(3)12(16)10-8-14-9(2)7-11(10)13/h7-8H,4-6H2,1-3H3,(H2,13,14)
InChIKeyYDOPXISOHDZYKR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide

4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81234919) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
PubChem CID81234919
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(C)cc1N
InChIInChI=1S/C12H19N3O/c1-4-5-6-15(3)12(16)10-8-14-9(2)7-11(10)13/h7-8H,4-6H2,1-3H3,(H2,13,14)
InChIKeyYDOPXISOHDZYKR-UHFFFAOYSA-N
XLogP1.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide (CID 81234919) is 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cnc(C)cc1N.
What is the InChIKey of 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is YDOPXISOHDZYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-5-6-15(3)12(16)10-8-14-9(2)7-11(10)13/h7-8H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide?
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81234919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).