N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide

C17H18FN3O2 — CID 6498648

IUPACN-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2ccccc2F)cn1
InChIInChI=1S/C17H18FN3O2/c1-12-7-8-13(11-21-12)16(22)19-9-4-10-20-17(23)14-5-2-3-6-15(14)18/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeySUWKRGGLHJHMGZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.08
Rot. Bonds6

About N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide

N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498648) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498648
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2ccccc2F)cn1
InChIInChI=1S/C17H18FN3O2/c1-12-7-8-13(11-21-12)16(22)19-9-4-10-20-17(23)14-5-2-3-6-15(14)18/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeySUWKRGGLHJHMGZ-UHFFFAOYSA-N
XLogP2.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide (CID 6498648) is N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2F)cn1.
What is the InChIKey of N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SUWKRGGLHJHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12-7-8-13(11-21-12)16(22)19-9-4-10-20-17(23)14-5-2-3-6-15(14)18/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).