N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide

C25H28ClN3O — CID 118917834

IUPACN-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
SMILESCN(C(=O)c1ccccc1-c1ccccc1)[C@H](CNc1ccc(Cl)cn1)C(C)(C)C
InChIInChI=1S/C25H28ClN3O/c1-25(2,3)22(17-28-23-15-14-19(26)16-27-23)29(4)24(30)21-13-9-8-12-20(21)18-10-6-5-7-11-18/h5-16,22H,17H2,1-4H3,(H,27,28)/t22-/m1/s1
InChIKeyUKFDQURKJCIYFZ-JOCHJYFZSA-N
MW421.97 g/mol
LogP6.00
Rot. Bonds6

About N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide

N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide (PubChem CID 118917834) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
PubChem CID118917834
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
SMILESCN(C(=O)c1ccccc1-c1ccccc1)[C@H](CNc1ccc(Cl)cn1)C(C)(C)C
InChIInChI=1S/C25H28ClN3O/c1-25(2,3)22(17-28-23-15-14-19(26)16-27-23)29(4)24(30)21-13-9-8-12-20(21)18-10-6-5-7-11-18/h5-16,22H,17H2,1-4H3,(H,27,28)/t22-/m1/s1
InChIKeyUKFDQURKJCIYFZ-JOCHJYFZSA-N
XLogP6.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide with MolForge

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Related Compounds

N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
N-[1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide
CID 131985689
N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide
CID 118928479
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide
CID 160508133
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide
CID 160860689
6-[2-[[5-chloro-2-(triazol-2-yl)benzoyl]-methylamino]butylamino]pyridine-3-carboxylic acid
CID 118917724
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68728242
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68726081
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 118917706

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide?
The IUPAC name of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide (CID 118917834) is N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide is CN(C(=O)c1ccccc1-c1ccccc1)[C@H](CNc1ccc(Cl)cn1)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide?
The InChIKey is UKFDQURKJCIYFZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-25(2,3)22(17-28-23-15-14-19(26)16-27-23)29(4)24(30)21-13-9-8-12-20(21)18-10-6-5-7-11-18/h5-16,22H,17H2,1-4H3,(H,27,28)/t22-/m1/s1.
What are the key properties of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide?
N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide has a molecular weight of 421.97 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 118917834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).