3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide

C16H17FN4O3 — CID 133339228

IUPAC3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide
SMILESCc1cc(NCCCNC(=O)c2cccc(F)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H17FN4O3/c1-11-8-15(20-10-14(11)21(23)24)18-6-3-7-19-16(22)12-4-2-5-13(17)9-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,18,20)(H,19,22)
InChIKeyYUMNDXOQEIUWFG-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.67
Rot. Bonds7

About 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide

3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide (PubChem CID 133339228) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide
PubChem CID133339228
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide
SMILESCc1cc(NCCCNC(=O)c2cccc(F)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H17FN4O3/c1-11-8-15(20-10-14(11)21(23)24)18-6-3-7-19-16(22)12-4-2-5-13(17)9-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,18,20)(H,19,22)
InChIKeyYUMNDXOQEIUWFG-UHFFFAOYSA-N
XLogP2.67
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
CID 82331113
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524
6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 133339227
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
CID 112696061
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 79457851
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide (CID 133339228) is 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide is Cc1cc(NCCCNC(=O)c2cccc(F)c2)ncc1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide?
The InChIKey is YUMNDXOQEIUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-11-8-15(20-10-14(11)21(23)24)18-6-3-7-19-16(22)12-4-2-5-13(17)9-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide?
3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide has a molecular weight of 332.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide is sourced from PubChem (CID 133339228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).