6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

C23H23N3O2 — CID 56851423

IUPAC6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)19-10-13-22(25-15-19)28-20-11-8-17(9-12-20)16-26-14-4-7-21(26)18-5-2-1-3-6-18/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H2,24,27)
InChIKeyWZVUQWRQADDXOE-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.31
Rot. Bonds6

About 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 56851423) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID56851423
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)19-10-13-22(25-15-19)28-20-11-8-17(9-12-20)16-26-14-4-7-21(26)18-5-2-1-3-6-18/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H2,24,27)
InChIKeyWZVUQWRQADDXOE-UHFFFAOYSA-N
XLogP4.31
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (CID 56851423) is 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1.
What is the InChIKey of 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is WZVUQWRQADDXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23(27)19-10-13-22(25-15-19)28-20-11-8-17(9-12-20)16-26-14-4-7-21(26)18-5-2-1-3-6-18/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H2,24,27).
What are the key properties of 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 56851423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).