2-amino-N,N,6-trimethylpyridine-4-carboxamide

C9H13N3O — CID 56966857

IUPAC2-amino-N,N,6-trimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc(N)n1
InChIInChI=1S/C9H13N3O/c1-6-4-7(5-8(10)11-6)9(13)12(2)3/h4-5H,1-3H3,(H2,10,11)
InChIKeyQLMUMHYEALQXDG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.67
Rot. Bonds1

About 2-amino-N,N,6-trimethylpyridine-4-carboxamide

2-amino-N,N,6-trimethylpyridine-4-carboxamide (PubChem CID 56966857) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-N,N,6-trimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N,N,6-trimethylpyridine-4-carboxamide
PubChem CID56966857
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-N,N,6-trimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc(N)n1
InChIInChI=1S/C9H13N3O/c1-6-4-7(5-8(10)11-6)9(13)12(2)3/h4-5H,1-3H3,(H2,10,11)
InChIKeyQLMUMHYEALQXDG-UHFFFAOYSA-N
XLogP0.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N,6-trimethylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N,N,6-trimethylpyridine-4-carboxamide (CID 56966857) is 2-amino-N,N,6-trimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N,N,6-trimethylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N,N,6-trimethylpyridine-4-carboxamide is Cc1cc(C(=O)N(C)C)cc(N)n1.
What is the InChIKey of 2-amino-N,N,6-trimethylpyridine-4-carboxamide?
The InChIKey is QLMUMHYEALQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-7(5-8(10)11-6)9(13)12(2)3/h4-5H,1-3H3,(H2,10,11).
What are the key properties of 2-amino-N,N,6-trimethylpyridine-4-carboxamide?
2-amino-N,N,6-trimethylpyridine-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N,6-trimethylpyridine-4-carboxamide is sourced from PubChem (CID 56966857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).