2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide

C17H19FN4O2 — CID 133321682

IUPAC2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c1-19-17(24)14-4-2-9-20-15(14)21-10-3-11-22-16(23)12-5-7-13(18)8-6-12/h2,4-9H,3,10-11H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyZQPYSDCIHSBOAP-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.81
Rot. Bonds7

About 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide

2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide (PubChem CID 133321682) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide
PubChem CID133321682
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c1-19-17(24)14-4-2-9-20-15(14)21-10-3-11-22-16(23)12-5-7-13(18)8-6-12/h2,4-9H,3,10-11H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyZQPYSDCIHSBOAP-UHFFFAOYSA-N
XLogP1.81
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502
2-[(4-hydroxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 13072444
4-bromo-N-[3-[(3-nitro-2-pyridinyl)amino]propyl]benzamide
CID 133275173
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
5-fluoro-N-[3-(4-fluorobenzoyl)-2-pyridinyl]-2-methylbenzamide
CID 146090821

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide (CID 133321682) is 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is ZQPYSDCIHSBOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-19-17(24)14-4-2-9-20-15(14)21-10-3-11-22-16(23)12-5-7-13(18)8-6-12/h2,4-9H,3,10-11H2,1H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide?
2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorobenzoyl)amino]propylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133321682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).