N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide

C25H28ClN3O — CID 131985638

IUPACN-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
SMILESCC(C)CC(CNc1ccc(Cl)cn1)N(C)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H28ClN3O/c1-18(2)15-21(17-28-24-14-13-20(26)16-27-24)29(3)25(30)23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-14,16,18,21H,15,17H2,1-3H3,(H,27,28)
InChIKeySYDILIAXENJZGT-UHFFFAOYSA-N
MW421.97 g/mol
LogP6.00
Rot. Bonds8

About N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide

N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide (PubChem CID 131985638) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
PubChem CID131985638
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
SMILESCC(C)CC(CNc1ccc(Cl)cn1)N(C)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H28ClN3O/c1-18(2)15-21(17-28-24-14-13-20(26)16-27-24)29(3)25(30)23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-14,16,18,21H,15,17H2,1-3H3,(H,27,28)
InChIKeySYDILIAXENJZGT-UHFFFAOYSA-N
XLogP6.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
CID 118917834
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
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
N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide
CID 160508133
N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
CID 68728016
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-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide
CID 160860689
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 118917706
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
6-[2-[[5-chloro-2-(triazol-2-yl)benzoyl]-methylamino]butylamino]pyridine-3-carboxylic acid
CID 118917724

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide?
The IUPAC name of N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide (CID 131985638) is N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide is CC(C)CC(CNc1ccc(Cl)cn1)N(C)C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide?
The InChIKey is SYDILIAXENJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-18(2)15-21(17-28-24-14-13-20(26)16-27-24)29(3)25(30)23-12-8-7-11-22(23)19-9-5-4-6-10-19/h4-14,16,18,21H,15,17H2,1-3H3,(H,27,28).
What are the key properties of N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide?
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide has a molecular weight of 421.97 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 131985638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).