N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide

C13H16N4O2 — CID 99577461

IUPACN-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide
SMILESCON(C(=O)c1cccc2n[nH]nc12)C1CCCC1
InChIInChI=1S/C13H16N4O2/c1-19-17(9-5-2-3-6-9)13(18)10-7-4-8-11-12(10)15-16-14-11/h4,7-9H,2-3,5-6H2,1H3,(H,14,15,16)
InChIKeyWLMMQRKGUJFOPE-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.90
Rot. Bonds3

About N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide

N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide (PubChem CID 99577461) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide
PubChem CID99577461
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide
SMILESCON(C(=O)c1cccc2n[nH]nc12)C1CCCC1
InChIInChI=1S/C13H16N4O2/c1-19-17(9-5-2-3-6-9)13(18)10-7-4-8-11-12(10)15-16-14-11/h4,7-9H,2-3,5-6H2,1H3,(H,14,15,16)
InChIKeyWLMMQRKGUJFOPE-UHFFFAOYSA-N
XLogP1.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclohexyl-2-hydroxy-N-methoxybenzamide
CID 89098947
1-(2H-benzotriazol-4-yl)-3-cyclopentylurea
CID 110748937
N-cyclopentyl-N-methoxy-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99624411
N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide
CID 104615686
2H-benzotriazol-4-ol;1,1,3,3-tetramethylurea
CID 174414010
2H-benzotriazole-4-carboxylic acid;tetrabutylphosphanium
CID 175789325
ethyl 2-[[4-[[2-[cyclopentyl(methoxy)carbamoyl]anilino]methyl]-2-pyridinyl]carbamoylamino]acetate
CID 87281983
2H-benzotriazol-4-yl-(8-methyl-2-azaspiro[4.4]nonan-2-yl)methanone
CID 86804539
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173918
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide (CID 99577461) is N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide is CON(C(=O)c1cccc2n[nH]nc12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide?
The InChIKey is WLMMQRKGUJFOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-17(9-5-2-3-6-9)13(18)10-7-4-8-11-12(10)15-16-14-11/h4,7-9H,2-3,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide?
N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 99577461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).