2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline

C25H26N6O2 — CID 141056215

IUPAC2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline
SMILESCOc1cccc(N(Cc2cccnc2)c2ccc(-c3nn[nH]n3)cc2)c1OC1CCCC1
InChIInChI=1S/C25H26N6O2/c1-32-23-10-4-9-22(24(23)33-21-7-2-3-8-21)31(17-18-6-5-15-26-16-18)20-13-11-19(12-14-20)25-27-29-30-28-25/h4-6,9-16,21H,2-3,7-8,17H2,1H3,(H,27,28,29,30)
InChIKeyZVRNNSNOAOYBJL-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.93
Rot. Bonds8

About 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline

2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline (PubChem CID 141056215) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline
PubChem CID141056215
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline
SMILESCOc1cccc(N(Cc2cccnc2)c2ccc(-c3nn[nH]n3)cc2)c1OC1CCCC1
InChIInChI=1S/C25H26N6O2/c1-32-23-10-4-9-22(24(23)33-21-7-2-3-8-21)31(17-18-6-5-15-26-16-18)20-13-11-19(12-14-20)25-27-29-30-28-25/h4-6,9-16,21H,2-3,7-8,17H2,1H3,(H,27,28,29,30)
InChIKeyZVRNNSNOAOYBJL-UHFFFAOYSA-N
XLogP4.93
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline?
The IUPAC name of 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline (CID 141056215) is 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline.
What is the SMILES notation for 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline?
The canonical SMILES for 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline is COc1cccc(N(Cc2cccnc2)c2ccc(-c3nn[nH]n3)cc2)c1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline?
The InChIKey is ZVRNNSNOAOYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-32-23-10-4-9-22(24(23)33-21-7-2-3-8-21)31(17-18-6-5-15-26-16-18)20-13-11-19(12-14-20)25-27-29-30-28-25/h4-6,9-16,21H,2-3,7-8,17H2,1H3,(H,27,28,29,30).
What are the key properties of 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline?
2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline has a molecular weight of 442.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline is sourced from PubChem (CID 141056215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).