N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide

C16H19N3O — CID 63306550

IUPACN-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
SMILESCc1cccnc1CNCC(=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O/c1-13-6-5-9-18-15(13)11-17-12-16(20)19-10-14-7-3-2-4-8-14/h2-9,17H,10-12H2,1H3,(H,19,20)
InChIKeyUCMKNCJEZPHOLJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.80
Rot. Bonds6

About N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide

N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide (PubChem CID 63306550) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
PubChem CID63306550
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
SMILESCc1cccnc1CNCC(=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O/c1-13-6-5-9-18-15(13)11-17-12-16(20)19-10-14-7-3-2-4-8-14/h2-9,17H,10-12H2,1H3,(H,19,20)
InChIKeyUCMKNCJEZPHOLJ-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
N-benzyl-2-(pyrazin-2-ylmethylamino)acetamide
CID 62763065
4-[[2-(benzylamino)-2-oxoethyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992924
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide (CID 63306550) is N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide is Cc1cccnc1CNCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
The InChIKey is UCMKNCJEZPHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-6-5-9-18-15(13)11-17-12-16(20)19-10-14-7-3-2-4-8-14/h2-9,17H,10-12H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide is sourced from PubChem (CID 63306550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).