N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide

C18H17FN4O2 — CID 86843766

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c19-15-11-14(4-5-16(15)23-10-7-20-13-23)12-21-17(24)6-9-22-8-2-1-3-18(22)25/h1-5,7-8,10-11,13H,6,9,12H2,(H,21,24)
InChIKeyNICANTMSMHAVCQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.88
Rot. Bonds6

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86843766) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86843766
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c19-15-11-14(4-5-16(15)23-10-7-20-13-23)12-21-17(24)6-9-22-8-2-1-3-18(22)25/h1-5,7-8,10-11,13H,6,9,12H2,(H,21,24)
InChIKeyNICANTMSMHAVCQ-UHFFFAOYSA-N
XLogP1.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47737914
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 47799450
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]acetamide
CID 47073790
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 47766787

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 86843766) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NCc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is NICANTMSMHAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-11-14(4-5-16(15)23-10-7-20-13-23)12-21-17(24)6-9-22-8-2-1-3-18(22)25/h1-5,7-8,10-11,13H,6,9,12H2,(H,21,24).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 340.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86843766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).