4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

C18H19N5O2 — CID 121022949

IUPAC4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C18H19N5O2/c1-13(2)25-17-7-5-14(6-8-17)18(24)20-10-15-12-23(22-21-15)16-4-3-9-19-11-16/h3-9,11-13H,10H2,1-2H3,(H,20,24)
InChIKeyHLPLYOLQTPWYGS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds6

About 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 121022949) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
PubChem CID121022949
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C18H19N5O2/c1-13(2)25-17-7-5-14(6-8-17)18(24)20-10-15-12-23(22-21-15)16-4-3-9-19-11-16/h3-9,11-13H,10H2,1-2H3,(H,20,24)
InChIKeyHLPLYOLQTPWYGS-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (CID 121022949) is 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is CC(C)Oc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is HLPLYOLQTPWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(2)25-17-7-5-14(6-8-17)18(24)20-10-15-12-23(22-21-15)16-4-3-9-19-11-16/h3-9,11-13H,10H2,1-2H3,(H,20,24).
What are the key properties of 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121022949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).