N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C21H25N5O — CID 46957630

IUPACN-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCc1cccnc1CN(Cc1ccccc1)C(=O)Cn1cc(C(C)C)nn1
InChIInChI=1S/C21H25N5O/c1-16(2)19-14-26(24-23-19)15-21(27)25(12-18-9-5-4-6-10-18)13-20-17(3)8-7-11-22-20/h4-11,14,16H,12-13,15H2,1-3H3
InChIKeyZCMCWLGWOKUWFY-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.33
Rot. Bonds7

About N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 46957630) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID46957630
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCc1cccnc1CN(Cc1ccccc1)C(=O)Cn1cc(C(C)C)nn1
InChIInChI=1S/C21H25N5O/c1-16(2)19-14-26(24-23-19)15-21(27)25(12-18-9-5-4-6-10-18)13-20-17(3)8-7-11-22-20/h4-11,14,16H,12-13,15H2,1-3H3
InChIKeyZCMCWLGWOKUWFY-UHFFFAOYSA-N
XLogP3.33
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(diethoxymethyl)triazol-1-yl]-N-ethylacetamide
CID 113242467
(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 97129057
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
diethyl 2-(1-benzyltriazol-4-yl)propanedioate
CID 134946268
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290154
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 95778125
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
2,2,2-trifluoro-1-[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]ethanone
CID 112651297
2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485670
N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742430
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 46957630) is N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is Cc1cccnc1CN(Cc1ccccc1)C(=O)Cn1cc(C(C)C)nn1.
What is the InChIKey of N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is ZCMCWLGWOKUWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16(2)19-14-26(24-23-19)15-21(27)25(12-18-9-5-4-6-10-18)13-20-17(3)8-7-11-22-20/h4-11,14,16H,12-13,15H2,1-3H3.
What are the key properties of N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 46957630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).