3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide

C17H20N4O2 — CID 118065514

IUPAC3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide
SMILESCC1(C)CN(c2c(C(N)=O)ccnc2-c2cccnc2)CCO1
InChIInChI=1S/C17H20N4O2/c1-17(2)11-21(8-9-23-17)15-13(16(18)22)5-7-20-14(15)12-4-3-6-19-10-12/h3-7,10H,8-9,11H2,1-2H3,(H2,18,22)
InChIKeyAGEPHJXTQXIELJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.86
Rot. Bonds3

About 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide

3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide (PubChem CID 118065514) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide
PubChem CID118065514
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide
SMILESCC1(C)CN(c2c(C(N)=O)ccnc2-c2cccnc2)CCO1
InChIInChI=1S/C17H20N4O2/c1-17(2)11-21(8-9-23-17)15-13(16(18)22)5-7-20-14(15)12-4-3-6-19-10-12/h3-7,10H,8-9,11H2,1-2H3,(H2,18,22)
InChIKeyAGEPHJXTQXIELJ-UHFFFAOYSA-N
XLogP1.86
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide (CID 118065514) is 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide is CC1(C)CN(c2c(C(N)=O)ccnc2-c2cccnc2)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide?
The InChIKey is AGEPHJXTQXIELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2)11-21(8-9-23-17)15-13(16(18)22)5-7-20-14(15)12-4-3-6-19-10-12/h3-7,10H,8-9,11H2,1-2H3,(H2,18,22).
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide?
3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-2-pyridin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 118065514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).