2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide

C23H31N5O3 — CID 131942057

IUPAC2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1
InChIInChI=1S/C23H31N5O3/c24-22(29)21-5-2-6-25-23(21)28-9-7-27(8-10-28)18-19-3-1-4-20(17-19)31-16-13-26-11-14-30-15-12-26/h1-6,17H,7-16,18H2,(H2,24,29)
InChIKeyUGXMNXFIKISFNA-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.21
Rot. Bonds8

About 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 131942057) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID131942057
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1
InChIInChI=1S/C23H31N5O3/c24-22(29)21-5-2-6-25-23(21)28-9-7-27(8-10-28)18-19-3-1-4-20(17-19)31-16-13-26-11-14-30-15-12-26/h1-6,17H,7-16,18H2,(H2,24,29)
InChIKeyUGXMNXFIKISFNA-UHFFFAOYSA-N
XLogP1.21
TPSA84.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 131942057) is 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1.
What is the InChIKey of 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is UGXMNXFIKISFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c24-22(29)21-5-2-6-25-23(21)28-9-7-27(8-10-28)18-19-3-1-4-20(17-19)31-16-13-26-11-14-30-15-12-26/h1-6,17H,7-16,18H2,(H2,24,29).
What are the key properties of 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131942057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).