N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide

C18H12FN5O — CID 739161

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccnc1
InChIInChI=1S/C18H12FN5O/c19-13-3-6-15(7-4-13)24-22-16-8-5-14(10-17(16)23-24)21-18(25)12-2-1-9-20-11-12/h1-11H,(H,21,25)
InChIKeyRZAVBKBMPJGJQZ-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide

N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide (PubChem CID 739161) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide
PubChem CID739161
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccnc1
InChIInChI=1S/C18H12FN5O/c19-13-3-6-15(7-4-13)24-22-16-8-5-14(10-17(16)23-24)21-18(25)12-2-1-9-20-11-12/h1-11H,(H,21,25)
InChIKeyRZAVBKBMPJGJQZ-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
4,6-Dimethyl-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]nicotinanilide
CID 9888801
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
3-Methyl-3H-Pyrazol[4,3-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10269234
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138007
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-6-carboxamide
CID 137660155
2-phenyl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414998
N-(2,6-dimethyl-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414961

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide (CID 739161) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide is O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccnc1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The InChIKey is RZAVBKBMPJGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-13-3-6-15(7-4-13)24-22-16-8-5-14(10-17(16)23-24)21-18(25)12-2-1-9-20-11-12/h1-11H,(H,21,25).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide has a molecular weight of 333.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 739161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).