2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide

C13H21N3O — CID 78942030

IUPAC2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CNC(=O)CNC(C)(C)C
InChIInChI=1S/C13H21N3O/c1-10-6-5-7-14-11(10)8-15-12(17)9-16-13(2,3)4/h5-7,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyDNLSLHBPLSBWEA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds4

About 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide

2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 78942030) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
PubChem CID78942030
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CNC(=O)CNC(C)(C)C
InChIInChI=1S/C13H21N3O/c1-10-6-5-7-14-11(10)8-15-12(17)9-16-13(2,3)4/h5-7,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyDNLSLHBPLSBWEA-UHFFFAOYSA-N
XLogP1.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
2,2-dimethyl-4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301601
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 63308967

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide (CID 78942030) is 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide is Cc1cccnc1CNC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is DNLSLHBPLSBWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-5-7-14-11(10)8-15-12(17)9-16-13(2,3)4/h5-7,16H,8-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 78942030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).