methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate

C13H13N3O2 — CID 66524293

IUPACmethyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccncc2C)nc1
InChIInChI=1S/C13H13N3O2/c1-9-7-14-6-5-11(9)16-12-4-3-10(8-15-12)13(17)18-2/h3-8H,1-2H3,(H,14,15,16)
InChIKeyAVEWQNYEWQMUGX-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.32
Rot. Bonds3

About methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate

methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate (PubChem CID 66524293) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
PubChem CID66524293
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Namemethyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccncc2C)nc1
InChIInChI=1S/C13H13N3O2/c1-9-7-14-6-5-11(9)16-12-4-3-10(8-15-12)13(17)18-2/h3-8H,1-2H3,(H,14,15,16)
InChIKeyAVEWQNYEWQMUGX-UHFFFAOYSA-N
XLogP2.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate (CID 66524293) is methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate is COC(=O)c1ccc(Nc2ccncc2C)nc1.
What is the InChIKey of methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate?
The InChIKey is AVEWQNYEWQMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-7-14-6-5-11(9)16-12-4-3-10(8-15-12)13(17)18-2/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate?
methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 66524293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).