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

C14H13N3O3 — CID 108755424

IUPACethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H13N3O3/c1-2-20-14(19)10-5-7-16-12(8-10)17-13(18)11-4-3-6-15-9-11/h3-9H,2H2,1H3,(H,16,17,18)
InChIKeyPLJGHRGXSQSKPV-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.91
Rot. Bonds4

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

ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate (PubChem CID 108755424) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
PubChem CID108755424
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H13N3O3/c1-2-20-14(19)10-5-7-16-12(8-10)17-13(18)11-4-3-6-15-9-11/h3-9H,2H2,1H3,(H,16,17,18)
InChIKeyPLJGHRGXSQSKPV-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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Related Compounds

ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 3-bromo-4-(pyridine-3-carbonylamino)benzoate
CID 43623837
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 4-[4-(pyridine-3-carbonylamino)anilino]benzoate
CID 112989376
ethyl 3-(pyridine-3-carbonylcarbamothioylamino)benzoate
CID 845490
ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
CID 176905513
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
ethyl benzoate;pyridine-3-carboxamide
CID 175250777

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate (CID 108755424) is ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)c2cccnc2)c1.
What is the InChIKey of ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate?
The InChIKey is PLJGHRGXSQSKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-20-14(19)10-5-7-16-12(8-10)17-13(18)11-4-3-6-15-9-11/h3-9H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate?
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-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 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate is sourced from PubChem (CID 108755424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).