2-amino-4,5,6-trimethylpyridine-3-carboxamide

C9H13N3O — CID 15284244

IUPAC2-amino-4,5,6-trimethylpyridine-3-carboxamide
SMILESCc1nc(N)c(C(N)=O)c(C)c1C
InChIInChI=1S/C9H13N3O/c1-4-5(2)7(9(11)13)8(10)12-6(4)3/h1-3H3,(H2,10,12)(H2,11,13)
InChIKeyIKSPCWSOAMXDSW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.69
Rot. Bonds1

About 2-amino-4,5,6-trimethylpyridine-3-carboxamide

2-amino-4,5,6-trimethylpyridine-3-carboxamide (PubChem CID 15284244) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-4,5,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,5,6-trimethylpyridine-3-carboxamide
PubChem CID15284244
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-4,5,6-trimethylpyridine-3-carboxamide
SMILESCc1nc(N)c(C(N)=O)c(C)c1C
InChIInChI=1S/C9H13N3O/c1-4-5(2)7(9(11)13)8(10)12-6(4)3/h1-3H3,(H2,10,12)(H2,11,13)
InChIKeyIKSPCWSOAMXDSW-UHFFFAOYSA-N
XLogP0.69
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6-trimethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-4,5,6-trimethylpyridine-3-carboxamide (CID 15284244) is 2-amino-4,5,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-4,5,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-4,5,6-trimethylpyridine-3-carboxamide is Cc1nc(N)c(C(N)=O)c(C)c1C.
What is the InChIKey of 2-amino-4,5,6-trimethylpyridine-3-carboxamide?
The InChIKey is IKSPCWSOAMXDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-5(2)7(9(11)13)8(10)12-6(4)3/h1-3H3,(H2,10,12)(H2,11,13).
What are the key properties of 2-amino-4,5,6-trimethylpyridine-3-carboxamide?
2-amino-4,5,6-trimethylpyridine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 15284244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).