N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide

C15H13N5O — CID 17177319

IUPACN-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESC=CCn1nnc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H13N5O/c1-2-10-20-18-15(17-19-20)16-14(21)13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H,16,18,21)
InChIKeyYEHONGIDERIAEM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.26
Rot. Bonds4

About N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide

N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 17177319) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID17177319
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESC=CCn1nnc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H13N5O/c1-2-10-20-18-15(17-19-20)16-14(21)13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H,16,18,21)
InChIKeyYEHONGIDERIAEM-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 17099400
3,5-dibromo-2-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177288
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162632
5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
CID 17027340
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
N-prop-2-enoxynaphthalene-1-carboxamide
CID 71365701
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
N-(1-methylpyrrol-2-yl)naphthalene-1-carboxamide
CID 132933719

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide (CID 17177319) is N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide is C=CCn1nnc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is YEHONGIDERIAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-2-10-20-18-15(17-19-20)16-14(21)13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H,16,18,21).
What are the key properties of N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide?
N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 17177319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).