N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide

C15H15N5O2 — CID 969018

IUPACN-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCCn1nnc(NC(=O)c2cc3ccccc3cc2OC)n1
InChIInChI=1S/C15H15N5O2/c1-3-20-18-15(17-19-20)16-14(21)12-8-10-6-4-5-7-11(10)9-13(12)22-2/h4-9H,3H2,1-2H3,(H,16,18,21)
InChIKeyFWAMOXPSCJXJQF-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.11
Rot. Bonds4

About N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide

N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 969018) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID969018
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCCn1nnc(NC(=O)c2cc3ccccc3cc2OC)n1
InChIInChI=1S/C15H15N5O2/c1-3-20-18-15(17-19-20)16-14(21)12-8-10-6-4-5-7-11(10)9-13(12)22-2/h4-9H,3H2,1-2H3,(H,16,18,21)
InChIKeyFWAMOXPSCJXJQF-UHFFFAOYSA-N
XLogP2.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide (CID 969018) is N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide is CCn1nnc(NC(=O)c2cc3ccccc3cc2OC)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is FWAMOXPSCJXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-3-20-18-15(17-19-20)16-14(21)12-8-10-6-4-5-7-11(10)9-13(12)22-2/h4-9H,3H2,1-2H3,(H,16,18,21).
What are the key properties of N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide?
N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 969018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).