6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide

C24H24N4O2 — CID 164915718

IUPAC6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C)nc1C[C@H](N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-15-12-13-20(24(29)28(2)3)26-21(15)14-19(25)16-8-4-5-9-17(16)23-18-10-6-7-11-22(18)30-27-23/h4-13,19H,14,25H2,1-3H3/t19-/m0/s1
InChIKeyPDJXCFXKUKPTFM-IBGZPJMESA-N
MW400.48 g/mol
LogP4.14
Rot. Bonds5

About 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide

6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide (PubChem CID 164915718) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide
PubChem CID164915718
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C)nc1C[C@H](N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-15-12-13-20(24(29)28(2)3)26-21(15)14-19(25)16-8-4-5-9-17(16)23-18-10-6-7-11-22(18)30-27-23/h4-13,19H,14,25H2,1-3H3/t19-/m0/s1
InChIKeyPDJXCFXKUKPTFM-IBGZPJMESA-N
XLogP4.14
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide with MolForge

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Related Compounds

6-[(2S)-2-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[[(S)-tert-butylsulfinyl]amino]ethyl]-N,N,5-trimethylpyridine-2-carboxamide
CID 164915516
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-5-methylpyridine-2-carbonitrile
CID 164915756
6-[(2S)-2-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[[(S)-tert-butylsulfinyl]amino]ethyl]-5-fluoro-N,N-dimethylpyridine-2-carboxamide
CID 164915586
[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
CID 174201473
6-[(2S)-2-amino-2-[2-(6-bromo-1,2-benzoxazol-3-yl)phenyl]ethyl]-5-methylpyridine-2-carbonitrile
CID 164915491
tert-butyl N-[(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(dimethylcarbamoyl)-2-pyridinyl]ethyl]carbamate
CID 164915461
1-[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-3-methylurea
CID 164915348
[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 164915375
1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine
CID 18357509
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(5-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 164915501
1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine
CID 18357508

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide?
The IUPAC name of 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide (CID 164915718) is 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide is Cc1ccc(C(=O)N(C)C)nc1C[C@H](N)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide?
The InChIKey is PDJXCFXKUKPTFM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-12-13-20(24(29)28(2)3)26-21(15)14-19(25)16-8-4-5-9-17(16)23-18-10-6-7-11-22(18)30-27-23/h4-13,19H,14,25H2,1-3H3/t19-/m0/s1.
What are the key properties of 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide?
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 164915718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).