3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

C25H29N5O5S — CID 142973761

IUPAC3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2NC(=O)c2ccc(S(C)(=O)=O)cc2OCC(C)(C)CN)nc1
InChIInChI=1S/C25H29N5O5S/c1-16-7-10-21(28-13-16)30-24(32)22-19(6-5-11-27-22)29-23(31)18-9-8-17(36(4,33)34)12-20(18)35-15-25(2,3)14-26/h5-13H,14-15,26H2,1-4H3,(H,29,31)(H,28,30,32)
InChIKeyRMCVSIZQMVYPOO-UHFFFAOYSA-N
MW511.60 g/mol
LogP3.06
Rot. Bonds9

About 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 142973761) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID142973761
Molecular FormulaC25H29N5O5S
Molecular Weight511.60 g/mol
Exact Mass511.19
IUPAC Name3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2NC(=O)c2ccc(S(C)(=O)=O)cc2OCC(C)(C)CN)nc1
InChIInChI=1S/C25H29N5O5S/c1-16-7-10-21(28-13-16)30-24(32)22-19(6-5-11-27-22)29-23(31)18-9-8-17(36(4,33)34)12-20(18)35-15-25(2,3)14-26/h5-13H,14-15,26H2,1-4H3,(H,29,31)(H,28,30,32)
InChIKeyRMCVSIZQMVYPOO-UHFFFAOYSA-N
XLogP3.06
TPSA153.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-3-[[2-[(2R)-2-methyl-3-propan-2-yliminopropoxy]-4-methylsulfonylbenzoyl]amino]pyridine-2-carboxamide
CID 68982627
N-[(1E,3E)-1-amino-4-chloropenta-1,3-dienyl]-3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfanylbenzoyl]amino]pyridine-2-carboxamide
CID 163523864
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
3-[[2-(3-aminopropoxy)-4-methylsulfanylbenzoyl]amino]-6-methyl-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 142973777
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107523796
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
2-methyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)sulfonylpropanamide;2-methyl-2-(4-methylsulfonylphenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 68901123
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide
CID 143235518
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55881745

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 142973761) is 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ncccc2NC(=O)c2ccc(S(C)(=O)=O)cc2OCC(C)(C)CN)nc1.
What is the InChIKey of 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is RMCVSIZQMVYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-16-7-10-21(28-13-16)30-24(32)22-19(6-5-11-27-22)29-23(31)18-9-8-17(36(4,33)34)12-20(18)35-15-25(2,3)14-26/h5-13H,14-15,26H2,1-4H3,(H,29,31)(H,28,30,32).
What are the key properties of 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-amino-2,2-dimethylpropoxy)-4-methylsulfonylbenzoyl]amino]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 142973761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).