N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide

C17H20N2O — CID 122142215

IUPACN-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCc1ccc(C)c(CN(C)C(=O)Cc2ccncc2)c1
InChIInChI=1S/C17H20N2O/c1-13-4-5-14(2)16(10-13)12-19(3)17(20)11-15-6-8-18-9-7-15/h4-10H,11-12H2,1-3H3
InChIKeyZRKCXXBDPZFAHW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.90
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide

N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide (PubChem CID 122142215) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
PubChem CID122142215
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCc1ccc(C)c(CN(C)C(=O)Cc2ccncc2)c1
InChIInChI=1S/C17H20N2O/c1-13-4-5-14(2)16(10-13)12-19(3)17(20)11-15-6-8-18-9-7-15/h4-10H,11-12H2,1-3H3
InChIKeyZRKCXXBDPZFAHW-UHFFFAOYSA-N
XLogP2.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142220
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
CID 131907349
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157370
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 51073326
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxoacetate
CID 115142441
N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 107206649
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide (CID 122142215) is N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide is Cc1ccc(C)c(CN(C)C(=O)Cc2ccncc2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
The InChIKey is ZRKCXXBDPZFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-4-5-14(2)16(10-13)12-19(3)17(20)11-15-6-8-18-9-7-15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 122142215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).