[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol

C23H24N6O — CID 15657987

IUPAC[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1CO
InChIInChI=1S/C23H24N6O/c1-2-14-29(23-19(16-30)6-5-13-24-23)15-17-9-11-18(12-10-17)20-7-3-4-8-21(20)22-25-27-28-26-22/h3-13,30H,2,14-16H2,1H3,(H,25,26,27,28)
InChIKeyIWCFGKCUXUEKBX-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.84
Rot. Bonds8

About [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol

[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol (PubChem CID 15657987) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol
PubChem CID15657987
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1CO
InChIInChI=1S/C23H24N6O/c1-2-14-29(23-19(16-30)6-5-13-24-23)15-17-9-11-18(12-10-17)20-7-3-4-8-21(20)22-25-27-28-26-22/h3-13,30H,2,14-16H2,1H3,(H,25,26,27,28)
InChIKeyIWCFGKCUXUEKBX-UHFFFAOYSA-N
XLogP3.84
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol?
The IUPAC name of [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol (CID 15657987) is [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol?
The canonical SMILES for [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1CO.
What is the InChIKey of [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol?
The InChIKey is IWCFGKCUXUEKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-14-29(23-19(16-30)6-5-13-24-23)15-17-9-11-18(12-10-17)20-7-3-4-8-21(20)22-25-27-28-26-22/h3-13,30H,2,14-16H2,1H3,(H,25,26,27,28).
What are the key properties of [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol?
[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol has a molecular weight of 400.49 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 15657987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).