N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide

C17H18FN3O2 — CID 39578480

IUPACN-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(CCc1cccc(F)c1)NCCNC(=O)c1cccnc1
InChIInChI=1S/C17H18FN3O2/c18-15-5-1-3-13(11-15)6-7-16(22)20-9-10-21-17(23)14-4-2-8-19-12-14/h1-5,8,11-12H,6-7,9-10H2,(H,20,22)(H,21,23)
InChIKeyXRYCCQCXRXOSTC-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.70
Rot. Bonds7

About N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide

N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide (PubChem CID 39578480) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
PubChem CID39578480
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(CCc1cccc(F)c1)NCCNC(=O)c1cccnc1
InChIInChI=1S/C17H18FN3O2/c18-15-5-1-3-13(11-15)6-7-16(22)20-9-10-21-17(23)14-4-2-8-19-12-14/h1-5,8,11-12H,6-7,9-10H2,(H,20,22)(H,21,23)
InChIKeyXRYCCQCXRXOSTC-UHFFFAOYSA-N
XLogP1.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.70
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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Related Compounds

N-[2-[[N-[(3-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111286012
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746
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CID 39580063
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CID 63866185
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide (CID 39578480) is N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide is O=C(CCc1cccc(F)c1)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is XRYCCQCXRXOSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-15-5-1-3-13(11-15)6-7-16(22)20-9-10-21-17(23)14-4-2-8-19-12-14/h1-5,8,11-12H,6-7,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide?
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39578480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).