2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide

C22H24N6O3S — CID 10275824

IUPAC2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1
InChIInChI=1S/C22H24N6O3S/c1-27-9-11-28(12-10-27)32(30,31)19-6-4-16(5-7-19)17-13-20(21(23)25-14-17)22(29)26-18-3-2-8-24-15-18/h2-8,13-15H,9-12H2,1H3,(H2,23,25)(H,26,29)
InChIKeyRWCPKLCPUPSNNO-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.91
Rot. Bonds5

About 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide

2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 10275824) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID10275824
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1
InChIInChI=1S/C22H24N6O3S/c1-27-9-11-28(12-10-27)32(30,31)19-6-4-16(5-7-19)17-13-20(21(23)25-14-17)22(29)26-18-3-2-8-24-15-18/h2-8,13-15H,9-12H2,1H3,(H2,23,25)(H,26,29)
InChIKeyRWCPKLCPUPSNNO-UHFFFAOYSA-N
XLogP1.91
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide (CID 10275824) is 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide is CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1.
What is the InChIKey of 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is RWCPKLCPUPSNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-27-9-11-28(12-10-27)32(30,31)19-6-4-16(5-7-19)17-13-20(21(23)25-14-17)22(29)26-18-3-2-8-24-15-18/h2-8,13-15H,9-12H2,1H3,(H2,23,25)(H,26,29).
What are the key properties of 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide?
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 10275824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).