N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide

C23H21ClN6O2S — CID 67013298

IUPACN-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(c2cccnc2)C(c2ccc(Cl)cc2)c2ccnc(N)n2)n1
InChIInChI=1S/C23H21ClN6O2S/c1-33(31,32)30-20-6-2-5-18(28-20)22(16-4-3-12-26-14-16)21(15-7-9-17(24)10-8-15)19-11-13-27-23(25)29-19/h2-14,21-22H,1H3,(H,28,30)(H2,25,27,29)
InChIKeyLRTRGWUQSDSDCM-UHFFFAOYSA-N
MW480.98 g/mol
LogP3.84
Rot. Bonds7

About N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide

N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (PubChem CID 67013298) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
PubChem CID67013298
Molecular FormulaC23H21ClN6O2S
Molecular Weight480.98 g/mol
Exact Mass480.11
IUPAC NameN-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(c2cccnc2)C(c2ccc(Cl)cc2)c2ccnc(N)n2)n1
InChIInChI=1S/C23H21ClN6O2S/c1-33(31,32)30-20-6-2-5-18(28-20)22(16-4-3-12-26-14-16)21(15-7-9-17(24)10-8-15)19-11-13-27-23(25)29-19/h2-14,21-22H,1H3,(H,28,30)(H2,25,27,29)
InChIKeyLRTRGWUQSDSDCM-UHFFFAOYSA-N
XLogP3.84
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (CID 67013298) is N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(c2cccnc2)C(c2ccc(Cl)cc2)c2ccnc(N)n2)n1.
What is the InChIKey of N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is LRTRGWUQSDSDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2S/c1-33(31,32)30-20-6-2-5-18(28-20)22(16-4-3-12-26-14-16)21(15-7-9-17(24)10-8-15)19-11-13-27-23(25)29-19/h2-14,21-22H,1H3,(H,28,30)(H2,25,27,29).
What are the key properties of N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 480.98 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 67013298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).