[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate

C17H19N3O4 — CID 174336892

IUPAC[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(=O)n(CCNC(=O)c2cccnc2)c1
InChIInChI=1S/C17H19N3O4/c1-12(2)17(23)24-14-5-6-15(21)20(11-14)9-8-19-16(22)13-4-3-7-18-10-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)
InChIKeyVIEVOWCHHGIBND-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.23
Rot. Bonds6

About [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate

[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate (PubChem CID 174336892) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate.

Molecular Properties

Compound Name[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate
PubChem CID174336892
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(=O)n(CCNC(=O)c2cccnc2)c1
InChIInChI=1S/C17H19N3O4/c1-12(2)17(23)24-14-5-6-15(21)20(11-14)9-8-19-16(22)13-4-3-7-18-10-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)
InChIKeyVIEVOWCHHGIBND-UHFFFAOYSA-N
XLogP1.23
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
CID 108926615
N-(6-methyl-2,5-dioxoheptyl)pyridine-3-carboxamide
CID 171414093
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531

Frequently Asked Questions

What is the IUPAC name of [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate?
The IUPAC name of [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate (CID 174336892) is [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate.
What is the SMILES notation for [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate?
The canonical SMILES for [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate is CC(C)C(=O)Oc1ccc(=O)n(CCNC(=O)c2cccnc2)c1.
What is the InChIKey of [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate?
The InChIKey is VIEVOWCHHGIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12(2)17(23)24-14-5-6-15(21)20(11-14)9-8-19-16(22)13-4-3-7-18-10-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,22).
What are the key properties of [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate?
[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate has a molecular weight of 329.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate is sourced from PubChem (CID 174336892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).