4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

C16H16FN3O — CID 62680434

IUPAC4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1F
InChIInChI=1S/C16H16FN3O/c17-14-8-12(3-6-15(14)18)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10,18H2
InChIKeyMGKTXLGLMPKQST-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.61
Rot. Bonds4

About 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 62680434) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID62680434
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1F
InChIInChI=1S/C16H16FN3O/c17-14-8-12(3-6-15(14)18)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10,18H2
InChIKeyMGKTXLGLMPKQST-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)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

N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 62680434) is 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is Nc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1F.
What is the InChIKey of 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MGKTXLGLMPKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-8-12(3-6-15(14)18)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10,18H2.
What are the key properties of 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 285.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 62680434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).