4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

C23H23N3O — CID 55522332

IUPAC4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O/c27-23(21-10-8-20(9-11-21)19-6-2-1-3-7-19)25-17-18-12-13-24-22(16-18)26-14-4-5-15-26/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27)
InChIKeyMESUSBDHDNBLKN-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.28
Rot. Bonds5

About 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 55522332) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID55522332
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O/c27-23(21-10-8-20(9-11-21)19-6-2-1-3-7-19)25-17-18-12-13-24-22(16-18)26-14-4-5-15-26/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27)
InChIKeyMESUSBDHDNBLKN-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56545956
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
4-bromo-N-[2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoylamino]ethyl]benzamide
CID 60544339
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (CID 55522332) is 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is MESUSBDHDNBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(21-10-8-20(9-11-21)19-6-2-1-3-7-19)25-17-18-12-13-24-22(16-18)26-14-4-5-15-26/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27).
What are the key properties of 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 357.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55522332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).