pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid

C16H18N2O2 — CID 66996995

IUPACpyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid
SMILESCc1cc(C)c(N(Cc2ccncc2)C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-11-8-12(2)15(13(3)9-11)18(16(19)20)10-14-4-6-17-7-5-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyZKYYSKYQUVXNSI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.69
Rot. Bonds3

About pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid

pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid (PubChem CID 66996995) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid.

Molecular Properties

Compound Namepyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid
PubChem CID66996995
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namepyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid
SMILESCc1cc(C)c(N(Cc2ccncc2)C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-11-8-12(2)15(13(3)9-11)18(16(19)20)10-14-4-6-17-7-5-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyZKYYSKYQUVXNSI-UHFFFAOYSA-N
XLogP3.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
N-benzyl-N-(2,4-dimethyl-6-phenylphenyl)acetamide
CID 101422179
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 105085803
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017
N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142215
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
3-(2-chloro-4,6-dimethylphenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 74246739
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid?
The IUPAC name of pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid (CID 66996995) is pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid.
What is the SMILES notation for pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid?
The canonical SMILES for pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid is Cc1cc(C)c(N(Cc2ccncc2)C(=O)O)c(C)c1.
What is the InChIKey of pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid?
The InChIKey is ZKYYSKYQUVXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-12(2)15(13(3)9-11)18(16(19)20)10-14-4-6-17-7-5-14/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid?
pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid has a molecular weight of 270.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid is sourced from PubChem (CID 66996995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).