N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

C15H13F4N3O2 — CID 135091161

IUPACN-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESNc1ncccc1CNC(=O)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C15H13F4N3O2/c16-14(17)15(18,19)24-11-6-2-1-5-10(11)13(23)22-8-9-4-3-7-21-12(9)20/h1-7,14H,8H2,(H2,20,21)(H,22,23)
InChIKeyIJZBSFVFZUGHIT-UHFFFAOYSA-N
MW343.28 g/mol
LogP2.83
Rot. Bonds6

About N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 135091161) has the molecular formula C15H13F4N3O2 and a molecular weight of 343.28 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID135091161
Molecular FormulaC15H13F4N3O2
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC NameN-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESNc1ncccc1CNC(=O)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C15H13F4N3O2/c16-14(17)15(18,19)24-11-6-2-1-5-10(11)13(23)22-8-9-4-3-7-21-12(9)20/h1-7,14H,8H2,(H2,20,21)(H,22,23)
InChIKeyIJZBSFVFZUGHIT-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide 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

2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
2-(1,1,2,2-tetrafluoroethoxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 91830961
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
CID 87542425
N-[(2-amino-3-pyridinyl)methyl]-5-hydroxy-2-methylbenzamide
CID 137338363
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 135091161) is N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide is Nc1ncccc1CNC(=O)c1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is IJZBSFVFZUGHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O2/c16-14(17)15(18,19)24-11-6-2-1-5-10(11)13(23)22-8-9-4-3-7-21-12(9)20/h1-7,14H,8H2,(H2,20,21)(H,22,23).
What are the key properties of N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 343.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 135091161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).