4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide

C24H24N4O3 — CID 56545956

IUPAC4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)cc2)cc1
InChIInChI=1S/C24H24N4O3/c25-23(29)18-3-7-20(8-4-18)31-21-9-5-19(6-10-21)24(30)27-16-17-11-12-26-22(15-17)28-13-1-2-14-28/h3-12,15H,1-2,13-14,16H2,(H2,25,29)(H,27,30)
InChIKeyFOQUTXUDXBFUON-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.50
Rot. Bonds7

About 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide

4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide (PubChem CID 56545956) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
PubChem CID56545956
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)cc2)cc1
InChIInChI=1S/C24H24N4O3/c25-23(29)18-3-7-20(8-4-18)31-21-9-5-19(6-10-21)24(30)27-16-17-11-12-26-22(15-17)28-13-1-2-14-28/h3-12,15H,1-2,13-14,16H2,(H2,25,29)(H,27,30)
InChIKeyFOQUTXUDXBFUON-UHFFFAOYSA-N
XLogP3.50
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548796
4-(difluoromethoxy)-3-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 52554684
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313
4-bromo-N-[2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoylamino]ethyl]benzamide
CID 60544339
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87005288
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 87020230
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(sulfamoylmethyl)benzamide
CID 167759916

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide (CID 56545956) is 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)cc2)cc1.
What is the InChIKey of 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide?
The InChIKey is FOQUTXUDXBFUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c25-23(29)18-3-7-20(8-4-18)31-21-9-5-19(6-10-21)24(30)27-16-17-11-12-26-22(15-17)28-13-1-2-14-28/h3-12,15H,1-2,13-14,16H2,(H2,25,29)(H,27,30).
What are the key properties of 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide?
4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).