methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate

C19H18N4O4 — CID 69374815

IUPACmethyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1.COC(=O)c1cccnc1Nc1ccccn1
InChIInChI=1S/C12H11N3O2.C7H7NO2/c1-17-12(16)9-5-4-8-14-11(9)15-10-6-2-3-7-13-10;1-10-7(9)6-3-2-4-8-5-6/h2-8H,1H3,(H,13,14,15);2-5H,1H3
InChIKeyXYZHSLNJBXTHGG-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.88
Rot. Bonds4

About methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate

methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate (PubChem CID 69374815) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate
PubChem CID69374815
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namemethyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1.COC(=O)c1cccnc1Nc1ccccn1
InChIInChI=1S/C12H11N3O2.C7H7NO2/c1-17-12(16)9-5-4-8-14-11(9)15-10-6-2-3-7-13-10;1-10-7(9)6-3-2-4-8-5-6/h2-8H,1H3,(H,13,14,15);2-5H,1H3
InChIKeyXYZHSLNJBXTHGG-UHFFFAOYSA-N
XLogP2.88
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate (CID 69374815) is methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1.COC(=O)c1cccnc1Nc1ccccn1.
What is the InChIKey of methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate?
The InChIKey is XYZHSLNJBXTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2.C7H7NO2/c1-17-12(16)9-5-4-8-14-11(9)15-10-6-2-3-7-13-10;1-10-7(9)6-3-2-4-8-5-6/h2-8H,1H3,(H,13,14,15);2-5H,1H3.
What are the key properties of methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate?
methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyridine-3-carboxylate;methyl 2-(pyridin-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 69374815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).