N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide

C19H15N5O — CID 16799214

IUPACN-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15N5O/c25-19(16-11-10-14-6-4-5-7-15(14)12-16)20-13-18-21-22-23-24(18)17-8-2-1-3-9-17/h1-12H,13H2,(H,20,25)
InChIKeyQAJIHQNITBQGHP-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.75
Rot. Bonds4

About N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide

N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide (PubChem CID 16799214) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide
PubChem CID16799214
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15N5O/c25-19(16-11-10-14-6-4-5-7-15(14)12-16)20-13-18-21-22-23-24(18)17-8-2-1-3-9-17/h1-12H,13H2,(H,20,25)
InChIKeyQAJIHQNITBQGHP-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide (CID 16799214) is N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide is O=C(NCc1nnnn1-c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is QAJIHQNITBQGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(16-11-10-14-6-4-5-7-15(14)12-16)20-13-18-21-22-23-24(18)17-8-2-1-3-9-17/h1-12H,13H2,(H,20,25).
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide?
N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 16799214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).