N-[(4-methyl-2-pyridinyl)methyl]acetamide

C9H12N2O — CID 121378939

IUPACN-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)ccn1
InChIInChI=1S/C9H12N2O/c1-7-3-4-10-9(5-7)6-11-8(2)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyZKSUMTXTPSNXEJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.03
Rot. Bonds2

About N-[(4-methyl-2-pyridinyl)methyl]acetamide

N-[(4-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 121378939) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridinyl)methyl]acetamide
PubChem CID121378939
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)ccn1
InChIInChI=1S/C9H12N2O/c1-7-3-4-10-9(5-7)6-11-8(2)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyZKSUMTXTPSNXEJ-UHFFFAOYSA-N
XLogP1.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
CID 158412826
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(4-methyl-2-pyridinyl)methyl]acetamide (CID 121378939) is N-[(4-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(4-methyl-2-pyridinyl)methyl]acetamide is CC(=O)NCc1cc(C)ccn1.
What is the InChIKey of N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is ZKSUMTXTPSNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-4-10-9(5-7)6-11-8(2)12/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of N-[(4-methyl-2-pyridinyl)methyl]acetamide?
N-[(4-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 164.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 121378939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).