1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide

C18H14N4O — CID 1088568

IUPAC1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)Nc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C18H14N4O/c1-22-17-9-7-14(11-16(17)20-21-22)18(23)19-15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3,(H,19,23)
InChIKeyIKDXYEOTMKMCQM-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.37
Rot. Bonds2

About 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide

1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide (PubChem CID 1088568) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide
PubChem CID1088568
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)Nc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C18H14N4O/c1-22-17-9-7-14(11-16(17)20-21-22)18(23)19-15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3,(H,19,23)
InChIKeyIKDXYEOTMKMCQM-UHFFFAOYSA-N
XLogP3.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-1-naphthalenyl-1-pentyl-1H-indazole-3-carboxamide
CID 119058030
5-Fluoro-MN-18
CID 91936859
2-(Benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
CID 15959243
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
2-(1H-benzotriazol-1-yl)-3-(phenylamino)naphthalene-1,4-dione
CID 1045967
1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
CID 900745
1-Methyl-1H-benzotriazole-5-carboxylic acid (2-fluoro-phenyl)-amide
CID 1088543
1-(1-Naphthylcarbonyl)-1H-benzotriazole
CID 685693
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
CID 15959246
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanone
CID 15959247
N-tert-butyl-1-methylbenzotriazole-5-carboxamide
CID 644913
N-[4-(dimethylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 753013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide?
The IUPAC name of 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide (CID 1088568) is 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)Nc3ccc4ccccc4c3)ccc21.
What is the InChIKey of 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide?
The InChIKey is IKDXYEOTMKMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-22-17-9-7-14(11-16(17)20-21-22)18(23)19-15-8-6-12-4-2-3-5-13(12)10-15/h2-11H,1H3,(H,19,23).
What are the key properties of 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide?
1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-naphthalen-2-ylbenzotriazole-5-carboxamide is sourced from PubChem (CID 1088568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).