4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide

C26H29N3O3 — CID 118045632

IUPAC4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(C3CCOCC3)cnc2N)ccc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C26H29N3O3/c1-17-13-20(23-14-21(15-28-25(23)27)18-9-11-32-12-10-18)7-8-22(17)26(31)29-24(16-30)19-5-3-2-4-6-19/h2-8,13-15,18,24,30H,9-12,16H2,1H3,(H2,27,28)(H,29,31)/t24-/m1/s1
InChIKeyDABKCWRUTKNTQU-XMMPIXPASA-N
MW431.54 g/mol
LogP4.00
Rot. Bonds6

About 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide

4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide (PubChem CID 118045632) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide
PubChem CID118045632
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(C3CCOCC3)cnc2N)ccc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C26H29N3O3/c1-17-13-20(23-14-21(15-28-25(23)27)18-9-11-32-12-10-18)7-8-22(17)26(31)29-24(16-30)19-5-3-2-4-6-19/h2-8,13-15,18,24,30H,9-12,16H2,1H3,(H2,27,28)(H,29,31)/t24-/m1/s1
InChIKeyDABKCWRUTKNTQU-XMMPIXPASA-N
XLogP4.00
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide with MolForge

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Related Compounds

4-[4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)benzoic acid
CID 16222940
3-{4-[4-(Pyridin-2-ylaminomethyl)piperidin-1-yl]phenyl}-2-(2,4,6-trimethyl-benzoylamino)propionic acid
CID 24872066
3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methyl-N-(oxan-4-yl)benzamide
CID 67975023
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 118045255
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 118045325
4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045402
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 118045421
4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045453
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-[3-(chloromethyl)-5-fluorophenyl]-2-hydroxyethyl]-2-fluorobenzamide
CID 118045505
4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045548
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045595
4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045601

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide?
The IUPAC name of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide (CID 118045632) is 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide.
What is the SMILES notation for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide?
The canonical SMILES for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide is Cc1cc(-c2cc(C3CCOCC3)cnc2N)ccc1C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide?
The InChIKey is DABKCWRUTKNTQU-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-13-20(23-14-21(15-28-25(23)27)18-9-11-32-12-10-18)7-8-22(17)26(31)29-24(16-30)19-5-3-2-4-6-19/h2-8,13-15,18,24,30H,9-12,16H2,1H3,(H2,27,28)(H,29,31)/t24-/m1/s1.
What are the key properties of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide?
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide is sourced from PubChem (CID 118045632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).