N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide

C25H25N3O3S — CID 59032659

IUPACN-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC1C[C@@H]1Cc1ccc(C#N)cc1
InChIInChI=1S/C25H25N3O3S/c1-18-7-12-24(27-32(30,31)17-21-5-3-2-4-6-21)25(29)28(18)16-23-14-22(23)13-19-8-10-20(15-26)11-9-19/h2-12,22-23,27H,13-14,16-17H2,1H3/t22-,23?/m0/s1
InChIKeyDRZKABOZLYDYLQ-NQCNTLBGSA-N
MW447.56 g/mol
LogP3.85
Rot. Bonds8

About N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide

N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide (PubChem CID 59032659) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
PubChem CID59032659
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC1C[C@@H]1Cc1ccc(C#N)cc1
InChIInChI=1S/C25H25N3O3S/c1-18-7-12-24(27-32(30,31)17-21-5-3-2-4-6-21)25(29)28(18)16-23-14-22(23)13-19-8-10-20(15-26)11-9-19/h2-12,22-23,27H,13-14,16-17H2,1H3/t22-,23?/m0/s1
InChIKeyDRZKABOZLYDYLQ-NQCNTLBGSA-N
XLogP3.85
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide (CID 59032659) is N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC1C[C@@H]1Cc1ccc(C#N)cc1.
What is the InChIKey of N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The InChIKey is DRZKABOZLYDYLQ-NQCNTLBGSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-18-7-12-24(27-32(30,31)17-21-5-3-2-4-6-21)25(29)28(18)16-23-14-22(23)13-19-8-10-20(15-26)11-9-19/h2-12,22-23,27H,13-14,16-17H2,1H3/t22-,23?/m0/s1.
What are the key properties of N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-2-[(4-cyanophenyl)methyl]cyclopropyl]methyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 59032659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).