N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide

C23H27N5O — CID 125443881

IUPACN-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
SMILESCNc1nccnc1-c1ccc(C(=O)NC[C@@H](c2cccc(C)c2)N(C)C)cc1
InChIInChI=1S/C23H27N5O/c1-16-6-5-7-19(14-16)20(28(3)4)15-27-23(29)18-10-8-17(9-11-18)21-22(24-2)26-13-12-25-21/h5-14,20H,15H2,1-4H3,(H,24,26)(H,27,29)/t20-/m0/s1
InChIKeyUYMQCUIPDLTWKF-FQEVSTJZSA-N
MW389.50 g/mol
LogP3.53
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide

N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide (PubChem CID 125443881) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
PubChem CID125443881
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
SMILESCNc1nccnc1-c1ccc(C(=O)NC[C@@H](c2cccc(C)c2)N(C)C)cc1
InChIInChI=1S/C23H27N5O/c1-16-6-5-7-19(14-16)20(28(3)4)15-27-23(29)18-10-8-17(9-11-18)21-22(24-2)26-13-12-25-21/h5-14,20H,15H2,1-4H3,(H,24,26)(H,27,29)/t20-/m0/s1
InChIKeyUYMQCUIPDLTWKF-FQEVSTJZSA-N
XLogP3.53
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
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-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide
CID 119070803

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide (CID 125443881) is N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide is CNc1nccnc1-c1ccc(C(=O)NC[C@@H](c2cccc(C)c2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
The InChIKey is UYMQCUIPDLTWKF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-6-5-7-19(14-16)20(28(3)4)15-27-23(29)18-10-8-17(9-11-18)21-22(24-2)26-13-12-25-21/h5-14,20H,15H2,1-4H3,(H,24,26)(H,27,29)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide is sourced from PubChem (CID 125443881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).