N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide

C16H16FN3O2 — CID 6498619

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H16FN3O2/c1-11-2-3-13(10-20-11)16(22)19-9-8-18-15(21)12-4-6-14(17)7-5-12/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyUBAOJSJZEOATDU-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.69
Rot. Bonds5

About N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide

N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498619) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID6498619
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H16FN3O2/c1-11-2-3-13(10-20-11)16(22)19-9-8-18-15(21)12-4-6-14(17)7-5-12/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyUBAOJSJZEOATDU-UHFFFAOYSA-N
XLogP1.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.69
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-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide (CID 6498619) is N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is UBAOJSJZEOATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-2-3-13(10-20-11)16(22)19-9-8-18-15(21)12-4-6-14(17)7-5-12/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).