N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide

C22H22N6O2S — CID 118271556

IUPACN-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1
InChIInChI=1S/C22H22N6O2S/c1-15(28-31(2,29)30)20(16-6-4-3-5-7-16)26-22-18-10-13-24-14-19(18)25-21(27-22)17-8-11-23-12-9-17/h3-15,20,28H,1-2H3,(H,25,26,27)
InChIKeyNFULKOSYPXDFGU-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.18
Rot. Bonds7

About N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide

N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 118271556) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID118271556
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1
InChIInChI=1S/C22H22N6O2S/c1-15(28-31(2,29)30)20(16-6-4-3-5-7-16)26-22-18-10-13-24-14-19(18)25-21(27-22)17-8-11-23-12-9-17/h3-15,20,28H,1-2H3,(H,25,26,27)
InChIKeyNFULKOSYPXDFGU-UHFFFAOYSA-N
XLogP3.18
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide with MolForge

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Related Compounds

(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 118224805
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55941683
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 172812602
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide (CID 118271556) is N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1.
What is the InChIKey of N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is NFULKOSYPXDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-15(28-31(2,29)30)20(16-6-4-3-5-7-16)26-22-18-10-13-24-14-19(18)25-21(27-22)17-8-11-23-12-9-17/h3-15,20,28H,1-2H3,(H,25,26,27).
What are the key properties of N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 118271556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).