6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid

C14H20N2O3 — CID 114125756

IUPAC6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCC2(C)CCOCC2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-7-12(11(8-15-10)13(17)18)16-9-14(2)3-5-19-6-4-14/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXCNNRXLCFQJEPK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.32
Rot. Bonds4

About 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid

6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114125756) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114125756
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCC2(C)CCOCC2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-7-12(11(8-15-10)13(17)18)16-9-14(2)3-5-19-6-4-14/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXCNNRXLCFQJEPK-UHFFFAOYSA-N
XLogP2.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid (CID 114125756) is 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid is Cc1cc(NCC2(C)CCOCC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is XCNNRXLCFQJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-12(11(8-15-10)13(17)18)16-9-14(2)3-5-19-6-4-14/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114125756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).