N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide

C18H22N2O — CID 92500236

IUPACN-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
SMILESCc1ccc([C@@H](NC(=O)C(C)C)c2cccnc2)cc1C
InChIInChI=1S/C18H22N2O/c1-12(2)18(21)20-17(16-6-5-9-19-11-16)15-8-7-13(3)14(4)10-15/h5-12,17H,1-4H3,(H,20,21)/t17-/m1/s1
InChIKeyHAWFUGJEWDTGLM-QGZVFWFLSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds4

About N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide

N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide (PubChem CID 92500236) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
PubChem CID92500236
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
SMILESCc1ccc([C@@H](NC(=O)C(C)C)c2cccnc2)cc1C
InChIInChI=1S/C18H22N2O/c1-12(2)18(21)20-17(16-6-5-9-19-11-16)15-8-7-13(3)14(4)10-15/h5-12,17H,1-4H3,(H,20,21)/t17-/m1/s1
InChIKeyHAWFUGJEWDTGLM-QGZVFWFLSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide 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-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
CID 131900152
3-(2-amino-1,3-thiazol-4-yl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 74245190
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 131892139
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide
CID 74243950
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9158355

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide?
The IUPAC name of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide (CID 92500236) is N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide?
The canonical SMILES for N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide is Cc1ccc([C@@H](NC(=O)C(C)C)c2cccnc2)cc1C.
What is the InChIKey of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide?
The InChIKey is HAWFUGJEWDTGLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)18(21)20-17(16-6-5-9-19-11-16)15-8-7-13(3)14(4)10-15/h5-12,17H,1-4H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide?
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide is sourced from PubChem (CID 92500236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).