ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate

C14H13N3O3 — CID 901912

IUPACethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cccnc2)ccn1
InChIInChI=1S/C14H13N3O3/c1-2-20-14(19)12-8-11(5-7-16-12)17-13(18)10-4-3-6-15-9-10/h3-9H,2H2,1H3,(H,16,17,18)
InChIKeyHQWKFMCTMKMACO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.91
Rot. Bonds4

About ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate

ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate (PubChem CID 901912) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate
PubChem CID901912
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Nameethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cccnc2)ccn1
InChIInChI=1S/C14H13N3O3/c1-2-20-14(19)12-8-11(5-7-16-12)17-13(18)10-4-3-6-15-9-10/h3-9H,2H2,1H3,(H,16,17,18)
InChIKeyHQWKFMCTMKMACO-UHFFFAOYSA-N
XLogP1.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate (CID 901912) is ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate is CCOC(=O)c1cc(NC(=O)c2cccnc2)ccn1.
What is the InChIKey of ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate?
The InChIKey is HQWKFMCTMKMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-20-14(19)12-8-11(5-7-16-12)17-13(18)10-4-3-6-15-9-10/h3-9H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate?
ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridine-3-carbonylamino)pyridine-2-carboxylate is sourced from PubChem (CID 901912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).