2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide

C18H22N2O — CID 92500199

IUPAC2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
SMILESCc1ccc([C@H](NC(=O)C(C)(C)C)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-13-7-9-14(10-8-13)16(15-6-5-11-19-12-15)20-17(21)18(2,3)4/h5-12,16H,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyDDJGHDPHYVJNIR-INIZCTEOSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds3

About 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide

2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide (PubChem CID 92500199) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
PubChem CID92500199
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
SMILESCc1ccc([C@H](NC(=O)C(C)(C)C)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-13-7-9-14(10-8-13)16(15-6-5-11-19-12-15)20-17(21)18(2,3)4/h5-12,16H,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyDDJGHDPHYVJNIR-INIZCTEOSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide (CID 92500199) is 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide is Cc1ccc([C@H](NC(=O)C(C)(C)C)c2cccnc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide?
The InChIKey is DDJGHDPHYVJNIR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-9-14(10-8-13)16(15-6-5-11-19-12-15)20-17(21)18(2,3)4/h5-12,16H,1-4H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide?
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide is sourced from PubChem (CID 92500199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).