4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide

C13H19N3O2 — CID 113491311

IUPAC4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NC2(C)CCOCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-9-7-11(14)10(8-15-9)12(17)16-13(2)3-5-18-6-4-13/h7-8H,3-6H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyASKSGMVASWOSTJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds2

About 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide

4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide (PubChem CID 113491311) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide
PubChem CID113491311
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NC2(C)CCOCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-9-7-11(14)10(8-15-9)12(17)16-13(2)3-5-18-6-4-13/h7-8H,3-6H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyASKSGMVASWOSTJ-UHFFFAOYSA-N
XLogP1.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide (CID 113491311) is 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)NC2(C)CCOCC2)cn1.
What is the InChIKey of 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide?
The InChIKey is ASKSGMVASWOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-11(14)10(8-15-9)12(17)16-13(2)3-5-18-6-4-13/h7-8H,3-6H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113491311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).