5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide

C14H19N5O2 — CID 146091681

IUPAC5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCC2CN3CCN2CC3)cn1
InChIInChI=1S/C14H19N5O2/c15-13(20)12-2-1-10(7-16-12)14(21)17-8-11-9-18-3-5-19(11)6-4-18/h1-2,7,11H,3-6,8-9H2,(H2,15,20)(H,17,21)
InChIKeyBVHHIGNLWSIMOJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP-1.09
Rot. Bonds4

About 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide

5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide (PubChem CID 146091681) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide
PubChem CID146091681
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCC2CN3CCN2CC3)cn1
InChIInChI=1S/C14H19N5O2/c15-13(20)12-2-1-10(7-16-12)14(21)17-8-11-9-18-3-5-19(11)6-4-18/h1-2,7,11H,3-6,8-9H2,(H2,15,20)(H,17,21)
InChIKeyBVHHIGNLWSIMOJ-UHFFFAOYSA-N
XLogP-1.09
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133399815
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methylsulfinylbenzamide
CID 167951747
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 90567505
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide
CID 90567577
5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
CID 169100410
5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
CID 164519355
2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide
CID 155469471

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide (CID 146091681) is 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)NCC2CN3CCN2CC3)cn1.
What is the InChIKey of 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide?
The InChIKey is BVHHIGNLWSIMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-13(20)12-2-1-10(7-16-12)14(21)17-8-11-9-18-3-5-19(11)6-4-18/h1-2,7,11H,3-6,8-9H2,(H2,15,20)(H,17,21).
What are the key properties of 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide?
5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide has a molecular weight of 289.34 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 146091681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).