N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide

C15H17FN4O — CID 82331113

IUPACN-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
SMILESNc1ccc(NCCCNC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C15H17FN4O/c16-12-4-1-3-11(9-12)15(21)19-8-2-7-18-14-6-5-13(17)10-20-14/h1,3-6,9-10H,2,7-8,17H2,(H,18,20)(H,19,21)
InChIKeyDJLGXJHSRXDVKU-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.03
Rot. Bonds6

About N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide

N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide (PubChem CID 82331113) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
PubChem CID82331113
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
SMILESNc1ccc(NCCCNC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C15H17FN4O/c16-12-4-1-3-11(9-12)15(21)19-8-2-7-18-14-6-5-13(17)10-20-14/h1,3-6,9-10H,2,7-8,17H2,(H,18,20)(H,19,21)
InChIKeyDJLGXJHSRXDVKU-UHFFFAOYSA-N
XLogP2.03
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide 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

3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide
CID 133339228
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536
6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 133339227
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 82331124
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
N-[3-[(5-amino-2-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331101
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide?
The IUPAC name of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide (CID 82331113) is N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide is Nc1ccc(NCCCNC(=O)c2cccc(F)c2)nc1.
What is the InChIKey of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide?
The InChIKey is DJLGXJHSRXDVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-12-4-1-3-11(9-12)15(21)19-8-2-7-18-14-6-5-13(17)10-20-14/h1,3-6,9-10H,2,7-8,17H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide?
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide has a molecular weight of 288.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide is sourced from PubChem (CID 82331113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).