N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide

C17H18FN3O2 — CID 118903638

IUPACN-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(C[C@@H]3NC[C@@H]3F)cc2)ccn1
InChIInChI=1S/C17H18FN3O2/c1-23-16-9-12(6-7-19-16)17(22)21-13-4-2-11(3-5-13)8-15-14(18)10-20-15/h2-7,9,14-15,20H,8,10H2,1H3,(H,21,22)/t14-,15-/m0/s1
InChIKeyNTTRSGAMQKSXOG-GJZGRUSLSA-N
MW315.35 g/mol
LogP2.19
Rot. Bonds5

About N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide

N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide (PubChem CID 118903638) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide
PubChem CID118903638
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(C[C@@H]3NC[C@@H]3F)cc2)ccn1
InChIInChI=1S/C17H18FN3O2/c1-23-16-9-12(6-7-19-16)17(22)21-13-4-2-11(3-5-13)8-15-14(18)10-20-15/h2-7,9,14-15,20H,8,10H2,1H3,(H,21,22)/t14-,15-/m0/s1
InChIKeyNTTRSGAMQKSXOG-GJZGRUSLSA-N
XLogP2.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide (CID 118903638) is N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)Nc2ccc(C[C@@H]3NC[C@@H]3F)cc2)ccn1.
What is the InChIKey of N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is NTTRSGAMQKSXOG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-16-9-12(6-7-19-16)17(22)21-13-4-2-11(3-5-13)8-15-14(18)10-20-15/h2-7,9,14-15,20H,8,10H2,1H3,(H,21,22)/t14-,15-/m0/s1.
What are the key properties of N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide?
N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,3S)-3-fluoroazetidin-2-yl]methyl]phenyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 118903638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).