N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide

C12H18N2O — CID 138525024

IUPACN-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
SMILESCCC(C)(C)c1ccnc(NC(C)=O)c1
InChIInChI=1S/C12H18N2O/c1-5-12(3,4)10-6-7-13-11(8-10)14-9(2)15/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyTVZYCINFMQIWOA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.73
Rot. Bonds3

About N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide

N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide (PubChem CID 138525024) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
PubChem CID138525024
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
SMILESCCC(C)(C)c1ccnc(NC(C)=O)c1
InChIInChI=1S/C12H18N2O/c1-5-12(3,4)10-6-7-13-11(8-10)14-9(2)15/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyTVZYCINFMQIWOA-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
CID 15156839
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
CID 143056768
benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
CID 167736278
N-(2-ethylpyrimidin-4-yl)acetamide
CID 67743476
N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577851
[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
CID 121363350

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide (CID 138525024) is N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide is CCC(C)(C)c1ccnc(NC(C)=O)c1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide?
The InChIKey is TVZYCINFMQIWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-12(3,4)10-6-7-13-11(8-10)14-9(2)15/h6-8H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide?
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 206.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 138525024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).