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

C12H17N3O2 — CID 82736650

IUPAC4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NC2CCOC2C)cn1
InChIInChI=1S/C12H17N3O2/c1-7-5-10(13)9(6-14-7)12(16)15-11-3-4-17-8(11)2/h5-6,8,11H,3-4H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyKORZYHGMAPHKSA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.88
Rot. Bonds2

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

4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide (PubChem CID 82736650) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
PubChem CID82736650
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NC2CCOC2C)cn1
InChIInChI=1S/C12H17N3O2/c1-7-5-10(13)9(6-14-7)12(16)15-11-3-4-17-8(11)2/h5-6,8,11H,3-4H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyKORZYHGMAPHKSA-UHFFFAOYSA-N
XLogP0.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.88
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-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide (CID 82736650) is 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)NC2CCOC2C)cn1.
What is the InChIKey of 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The InChIKey is KORZYHGMAPHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-5-10(13)9(6-14-7)12(16)15-11-3-4-17-8(11)2/h5-6,8,11H,3-4H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.88, 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-(2-methyloxolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 82736650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).