N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide

C15H16N6O — CID 55621111

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C15H16N6O/c1-21(2)14-6-3-10(8-16-14)9-17-15(22)11-4-5-12-13(7-11)19-20-18-12/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyIPIFOJBDCUTISD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.35
Rot. Bonds4

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 55621111) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
PubChem CID55621111
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C15H16N6O/c1-21(2)14-6-3-10(8-16-14)9-17-15(22)11-4-5-12-13(7-11)19-20-18-12/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyIPIFOJBDCUTISD-UHFFFAOYSA-N
XLogP1.35
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
CID 55706123
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55620834
N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide
CID 55819545
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621100
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide (CID 55621111) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide is CN(C)c1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cn1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is IPIFOJBDCUTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-21(2)14-6-3-10(8-16-14)9-17-15(22)11-4-5-12-13(7-11)19-20-18-12/h3-8H,9H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 55621111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).