2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide

C21H21N5O3S — CID 139503431

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H21N5O3S/c1-14(19-10-12-23-21(25-19)26-30(28,29)18-8-9-18)20(27)24-17-6-4-15(5-7-17)16-3-2-11-22-13-16/h2-7,10-14,18H,8-9H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyYCYQOXIDYNPRHN-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide (PubChem CID 139503431) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide
PubChem CID139503431
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H21N5O3S/c1-14(19-10-12-23-21(25-19)26-30(28,29)18-8-9-18)20(27)24-17-6-4-15(5-7-17)16-3-2-11-22-13-16/h2-7,10-14,18H,8-9H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyYCYQOXIDYNPRHN-UHFFFAOYSA-N
XLogP3.18
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide (CID 139503431) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide is CC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide?
The InChIKey is YCYQOXIDYNPRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-14(19-10-12-23-21(25-19)26-30(28,29)18-8-9-18)20(27)24-17-6-4-15(5-7-17)16-3-2-11-22-13-16/h2-7,10-14,18H,8-9H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide has a molecular weight of 423.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)propanamide is sourced from PubChem (CID 139503431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).