N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide

C16H16FN3O2 — CID 2986895

IUPACN-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-7-5-12(6-8-13)15(21)19-10-3-11-20-16(22)14-4-1-2-9-18-14/h1-2,4-9H,3,10-11H2,(H,19,21)(H,20,22)
InChIKeyDCWKAHRSINMQQT-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.77
Rot. Bonds6

About N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide

N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 2986895) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
PubChem CID2986895
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-7-5-12(6-8-13)15(21)19-10-3-11-20-16(22)14-4-1-2-9-18-14/h1-2,4-9H,3,10-11H2,(H,19,21)(H,20,22)
InChIKeyDCWKAHRSINMQQT-UHFFFAOYSA-N
XLogP1.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.77
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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Lsn2463359
CID 72551298

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide (CID 2986895) is N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide is O=C(NCCCNC(=O)c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is DCWKAHRSINMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-7-5-12(6-8-13)15(21)19-10-3-11-20-16(22)14-4-1-2-9-18-14/h1-2,4-9H,3,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide?
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 2986895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).