2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide

C21H22N6O3S — CID 139503465

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22N6O3S/c1-21(2,17-9-11-23-20(25-17)27-31(29,30)16-6-7-16)19(28)26-18-8-5-15(13-24-18)14-4-3-10-22-12-14/h3-5,8-13,16H,6-7H2,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKeyNAUBCEKZDIXMOC-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.75
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide (PubChem CID 139503465) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
PubChem CID139503465
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22N6O3S/c1-21(2,17-9-11-23-20(25-17)27-31(29,30)16-6-7-16)19(28)26-18-8-5-15(13-24-18)14-4-3-10-22-12-14/h3-5,8-13,16H,6-7H2,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKeyNAUBCEKZDIXMOC-UHFFFAOYSA-N
XLogP2.75
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide (CID 139503465) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide is CC(C)(C(=O)Nc1ccc(-c2cccnc2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The InChIKey is NAUBCEKZDIXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-21(2,17-9-11-23-20(25-17)27-31(29,30)16-6-7-16)19(28)26-18-8-5-15(13-24-18)14-4-3-10-22-12-14/h3-5,8-13,16H,6-7H2,1-2H3,(H,23,25,27)(H,24,26,28).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide has a molecular weight of 438.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(5-pyridin-3-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 139503465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).