N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide

C19H20N4O2S — CID 72863472

IUPACN-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCc1nc(-c2ccncc2)ncc1C(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H20N4O2S/c1-14-18(12-21-19(22-14)17-8-10-20-11-9-17)15(2)23-26(24,25)13-16-6-4-3-5-7-16/h3-12,15,23H,13H2,1-2H3
InChIKeyXRFJXYKPFQPIOC-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide

N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 72863472) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID72863472
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCc1nc(-c2ccncc2)ncc1C(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H20N4O2S/c1-14-18(12-21-19(22-14)17-8-10-20-11-9-17)15(2)23-26(24,25)13-16-6-4-3-5-7-16/h3-12,15,23H,13H2,1-2H3
InChIKeyXRFJXYKPFQPIOC-UHFFFAOYSA-N
XLogP3.03
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide (CID 72863472) is N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide is Cc1nc(-c2ccncc2)ncc1C(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is XRFJXYKPFQPIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-18(12-21-19(22-14)17-8-10-20-11-9-17)15(2)23-26(24,25)13-16-6-4-3-5-7-16/h3-12,15,23H,13H2,1-2H3.
What are the key properties of N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide?
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 72863472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).