N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C21H19N3O3S — CID 123586966

IUPACN-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CC3c3cccnc3)cc2)cn1
InChIInChI=1S/C21H19N3O3S/c1-14-4-7-18(13-23-14)28(26,27)17-8-5-16(6-9-17)24-21(25)20-11-19(20)15-3-2-10-22-12-15/h2-10,12-13,19-20H,11H2,1H3,(H,24,25)
InChIKeySSRQOXMMMMCZHS-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 123586966) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID123586966
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CC3c3cccnc3)cc2)cn1
InChIInChI=1S/C21H19N3O3S/c1-14-4-7-18(13-23-14)28(26,27)17-8-5-16(6-9-17)24-21(25)20-11-19(20)15-3-2-10-22-12-15/h2-10,12-13,19-20H,11H2,1H3,(H,24,25)
InChIKeySSRQOXMMMMCZHS-UHFFFAOYSA-N
XLogP3.36
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 123586966) is N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CC3c3cccnc3)cc2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is SSRQOXMMMMCZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14-4-7-18(13-23-14)28(26,27)17-8-5-16(6-9-17)24-21(25)20-11-19(20)15-3-2-10-22-12-15/h2-10,12-13,19-20H,11H2,1H3,(H,24,25).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 123586966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).