3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

C22H29N3O3 — CID 125443212

IUPAC3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESC[C@@H](O)c1cccc(-c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)n1
InChIInChI=1S/C22H29N3O3/c1-16(26)19-8-5-9-20(24-19)17-6-4-7-18(14-17)21(27)23-15-22(2,3)25-10-12-28-13-11-25/h4-9,14,16,26H,10-13,15H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyCJKOUDMAZLZWRU-MRXNPFEDSA-N
MW383.49 g/mol
LogP2.64
Rot. Bonds6

About 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (PubChem CID 125443212) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
PubChem CID125443212
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESC[C@@H](O)c1cccc(-c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)n1
InChIInChI=1S/C22H29N3O3/c1-16(26)19-8-5-9-20(24-19)17-6-4-7-18(14-17)21(27)23-15-22(2,3)25-10-12-28-13-11-25/h4-9,14,16,26H,10-13,15H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyCJKOUDMAZLZWRU-MRXNPFEDSA-N
XLogP2.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 47019703
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125437509
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
1-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 47011963
3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111313384
3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 46470982
3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 51053987

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (CID 125443212) is 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is C[C@@H](O)c1cccc(-c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)n1.
What is the InChIKey of 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The InChIKey is CJKOUDMAZLZWRU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(26)19-8-5-9-20(24-19)17-6-4-7-18(14-17)21(27)23-15-22(2,3)25-10-12-28-13-11-25/h4-9,14,16,26H,10-13,15H2,1-3H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 125443212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).