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

C19H23N3O3S — CID 36753625

IUPAC4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)14-15-4-6-17(7-5-15)19(23)21-13-16-8-9-20-18(12-16)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,21,23)
InChIKeyIATJIYPQGRLZDF-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.16
Rot. Bonds6

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

4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 36753625) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID36753625
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)14-15-4-6-17(7-5-15)19(23)21-13-16-8-9-20-18(12-16)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,21,23)
InChIKeyIATJIYPQGRLZDF-UHFFFAOYSA-N
XLogP2.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313
4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56545956
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(sulfamoylmethyl)benzamide
CID 167759916
3-(methylsulfamoyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 37312302
2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 87020230
4-bromo-N-[2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoylamino]ethyl]benzamide
CID 60544339
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
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

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (CID 36753625) is 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is CS(=O)(=O)Cc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is IATJIYPQGRLZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)14-15-4-6-17(7-5-15)19(23)21-13-16-8-9-20-18(12-16)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,21,23).
What are the key properties of 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 36753625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).