ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen

C16H22N2O — CID 145105834

IUPACethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
SMILESCC.CC(=O)Nc1ccc(-c2ccc(C)cc2)cn1.[H][H]
InChIInChI=1S/C14H14N2O.C2H6.H2/c1-10-3-5-12(6-4-10)13-7-8-14(15-9-13)16-11(2)17;1-2;/h3-9H,1-2H3,(H,15,16,17);1-2H3;1H
InChIKeyXVOMFOHCBNRQSF-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.29
Rot. Bonds2

About ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen

ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen (PubChem CID 145105834) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
PubChem CID145105834
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Nameethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
SMILESCC.CC(=O)Nc1ccc(-c2ccc(C)cc2)cn1.[H][H]
InChIInChI=1S/C14H14N2O.C2H6.H2/c1-10-3-5-12(6-4-10)13-7-8-14(15-9-13)16-11(2)17;1-2;/h3-9H,1-2H3,(H,15,16,17);1-2H3;1H
InChIKeyXVOMFOHCBNRQSF-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879
N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
CID 154786137
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
CID 118346226
N-[5-(4-methylphenyl)-2-pyridinyl]formamide
CID 87377531
N-(5-sulfanyl-2-pyridinyl)acetamide
CID 67482224
N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide
CID 90094997
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257
2-(6-methyl-1-benzofuran-3-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55978691
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen?
The IUPAC name of ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen (CID 145105834) is ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen is CC.CC(=O)Nc1ccc(-c2ccc(C)cc2)cn1.[H][H].
What is the InChIKey of ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen?
The InChIKey is XVOMFOHCBNRQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.C2H6.H2/c1-10-3-5-12(6-4-10)13-7-8-14(15-9-13)16-11(2)17;1-2;/h3-9H,1-2H3,(H,15,16,17);1-2H3;1H.
What are the key properties of ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen?
ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen has a molecular weight of 258.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen is sourced from PubChem (CID 145105834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).