1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide

C17H16FN3O2 — CID 110090415

IUPAC1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C17H16FN3O2/c18-13-4-1-3-11(7-13)8-14-5-2-6-15(20-14)17(23)21-9-12(10-21)16(19)22/h1-7,12H,8-10H2,(H2,19,22)
InChIKeyQMMUUIDWWGFSEW-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.37
Rot. Bonds4

About 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide

1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide (PubChem CID 110090415) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide
PubChem CID110090415
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C17H16FN3O2/c18-13-4-1-3-11(7-13)8-14-5-2-6-15(20-14)17(23)21-9-12(10-21)16(19)22/h1-7,12H,8-10H2,(H2,19,22)
InChIKeyQMMUUIDWWGFSEW-UHFFFAOYSA-N
XLogP1.37
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
Pyridine amide, 32
CID 44237006
4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
[(1S)-1-[[(2S)-3-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid
CID 71716676
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986253
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2986306
N-{2-[(phenylcarbonyl)amino]ethyl}pyridine-2-carboxamide
CID 2986667
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895
Pyridine-2-carboxylic acid [2-(2-methyl-benzoylamino)-ethyl]-amide
CID 2988504
Pyridine-2-carboxylic acid [3-(4-tert-butyl-benzoylamino)-propyl]-amide
CID 6490888

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide?
The IUPAC name of 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide (CID 110090415) is 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide is NC(=O)C1CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)C1.
What is the InChIKey of 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide?
The InChIKey is QMMUUIDWWGFSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-13-4-1-3-11(7-13)8-14-5-2-6-15(20-14)17(23)21-9-12(10-21)16(19)22/h1-7,12H,8-10H2,(H2,19,22).
What are the key properties of 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide?
1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluorophenyl)methyl]pyridine-2-carbonyl]azetidine-3-carboxamide is sourced from PubChem (CID 110090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).