N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

C17H21N3O — CID 95191422

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cccnc2)N(C)C)c1
InChIInChI=1S/C17H21N3O/c1-13-6-4-7-14(10-13)16(20(2)3)12-19-17(21)15-8-5-9-18-11-15/h4-11,16H,12H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyXAAGATYNEIFBLK-MRXNPFEDSA-N
MW283.38 g/mol
LogP2.42
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 95191422) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID95191422
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cccnc2)N(C)C)c1
InChIInChI=1S/C17H21N3O/c1-13-6-4-7-14(10-13)16(20(2)3)12-19-17(21)15-8-5-9-18-11-15/h4-11,16H,12H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyXAAGATYNEIFBLK-MRXNPFEDSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
CID 125443881
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide (CID 95191422) is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1cccc([C@@H](CNC(=O)c2cccnc2)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is XAAGATYNEIFBLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-6-4-7-14(10-13)16(20(2)3)12-19-17(21)15-8-5-9-18-11-15/h4-11,16H,12H2,1-3H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 95191422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).