6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide

C13H21N3O2 — CID 155154232

IUPAC6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc([C@@H](O)CNC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)15-8-11(17)9-6-5-7-10(16-9)12(18)14-4/h5-7,11,15,17H,8H2,1-4H3,(H,14,18)/t11-/m0/s1
InChIKeyAYVROEOSPCMUNV-NSHDSACASA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds4

About 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide

6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide (PubChem CID 155154232) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide
PubChem CID155154232
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc([C@@H](O)CNC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)15-8-11(17)9-6-5-7-10(16-9)12(18)14-4/h5-7,11,15,17H,8H2,1-4H3,(H,14,18)/t11-/m0/s1
InChIKeyAYVROEOSPCMUNV-NSHDSACASA-N
XLogP0.86
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58567052
CID 58567052
CID 132185846
CID 132185846
CID 132186095
CID 132186095
CID 43558273
CID 43558273
CID 43558255
CID 43558255
CID 155126357
CID 155126357
CID 71105584
CID 71105584
CID 71105700
CID 71105700
CID 43558256
CID 43558256
CID 43558264
CID 43558264
CID 43558270
CID 43558270
CID 43558271
CID 43558271

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide (CID 155154232) is 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc([C@@H](O)CNC(C)(C)C)n1.
What is the InChIKey of 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is AYVROEOSPCMUNV-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)15-8-11(17)9-6-5-7-10(16-9)12(18)14-4/h5-7,11,15,17H,8H2,1-4H3,(H,14,18)/t11-/m0/s1.
What are the key properties of 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide?
6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155154232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).