2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide

C18H16N6O — CID 121197954

IUPAC2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C18H16N6O/c25-18(13-23-9-7-14-4-1-2-6-17(14)23)20-10-15-12-24(22-21-15)16-5-3-8-19-11-16/h1-9,11-12H,10,13H2,(H,20,25)
InChIKeyQPHZDAVXVZWSFH-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.93
Rot. Bonds5

About 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide

2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 121197954) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
PubChem CID121197954
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C18H16N6O/c25-18(13-23-9-7-14-4-1-2-6-17(14)23)20-10-15-12-24(22-21-15)16-5-3-8-19-11-16/h1-9,11-12H,10,13H2,(H,20,25)
InChIKeyQPHZDAVXVZWSFH-UHFFFAOYSA-N
XLogP1.93
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
1-(1-adamantyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198143
pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate
CID 121198078
3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121197902
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide (CID 121197954) is 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide is O=C(Cn1ccc2ccccc21)NCc1cn(-c2cccnc2)nn1.
What is the InChIKey of 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is QPHZDAVXVZWSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(13-23-9-7-14-4-1-2-6-17(14)23)20-10-15-12-24(22-21-15)16-5-3-8-19-11-16/h1-9,11-12H,10,13H2,(H,20,25).
What are the key properties of 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide?
2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 121197954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).