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

C12H17N3O2 — CID 62156515

IUPAC6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(N)nc1)C1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-15(10-4-6-17-7-5-10)12(16)9-2-3-11(13)14-8-9/h2-3,8,10H,4-7H2,1H3,(H2,13,14)
InChIKeyXBZVLVIQLRHVLV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds2

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

6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 62156515) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID62156515
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(N)nc1)C1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-15(10-4-6-17-7-5-10)12(16)9-2-3-11(13)14-8-9/h2-3,8,10H,4-7H2,1H3,(H2,13,14)
InChIKeyXBZVLVIQLRHVLV-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (CID 62156515) is 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is CN(C(=O)c1ccc(N)nc1)C1CCOCC1.
What is the InChIKey of 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is XBZVLVIQLRHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(10-4-6-17-7-5-10)12(16)9-2-3-11(13)14-8-9/h2-3,8,10H,4-7H2,1H3,(H2,13,14).
What are the key properties of 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62156515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).