N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide

C22H22N6O — CID 68555772

IUPACN-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(-n2nc3ccc(NC(=O)c4ccncc4)cc3n2)cc1
InChIInChI=1S/C22H22N6O/c1-3-27(4-2)18-6-8-19(9-7-18)28-25-20-10-5-17(15-21(20)26-28)24-22(29)16-11-13-23-14-12-16/h5-15H,3-4H2,1-2H3,(H,24,29)
InChIKeyYCANHBHRFCHCTC-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.91
Rot. Bonds6

About N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide

N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide (PubChem CID 68555772) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
PubChem CID68555772
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(-n2nc3ccc(NC(=O)c4ccncc4)cc3n2)cc1
InChIInChI=1S/C22H22N6O/c1-3-27(4-2)18-6-8-19(9-7-18)28-25-20-10-5-17(15-21(20)26-28)24-22(29)16-11-13-23-14-12-16/h5-15H,3-4H2,1-2H3,(H,24,29)
InChIKeyYCANHBHRFCHCTC-UHFFFAOYSA-N
XLogP3.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
CID 1215874
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-4-phenylbenzamide
CID 23097353
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide (CID 68555772) is N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide is CCN(CC)c1ccc(-n2nc3ccc(NC(=O)c4ccncc4)cc3n2)cc1.
What is the InChIKey of N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide?
The InChIKey is YCANHBHRFCHCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-3-27(4-2)18-6-8-19(9-7-18)28-25-20-10-5-17(15-21(20)26-28)24-22(29)16-11-13-23-14-12-16/h5-15H,3-4H2,1-2H3,(H,24,29).
What are the key properties of N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide?
N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 68555772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).