N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide

C17H17ClN8O2S — CID 59548471

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)C3CC3)c2)n1
InChIInChI=1S/C17H17ClN8O2S/c1-9-22-16(25-17(19)23-9)12-3-2-6-20-15(12)24-10-7-13(14(18)21-8-10)26-29(27,28)11-4-5-11/h2-3,6-8,11,26H,4-5H2,1H3,(H,20,24)(H2,19,22,23,25)
InChIKeyFOVDAQSOCPEZCB-UHFFFAOYSA-N
MW432.90 g/mol
LogP2.52
Rot. Bonds6

About N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 59548471) has the molecular formula C17H17ClN8O2S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide
PubChem CID59548471
Molecular FormulaC17H17ClN8O2S
Molecular Weight432.90 g/mol
Exact Mass432.09
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)C3CC3)c2)n1
InChIInChI=1S/C17H17ClN8O2S/c1-9-22-16(25-17(19)23-9)12-3-2-6-20-15(12)24-10-7-13(14(18)21-8-10)26-29(27,28)11-4-5-11/h2-3,6-8,11,26H,4-5H2,1H3,(H,20,24)(H2,19,22,23,25)
InChIKeyFOVDAQSOCPEZCB-UHFFFAOYSA-N
XLogP2.52
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide (CID 59548471) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide is Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)C3CC3)c2)n1.
What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is FOVDAQSOCPEZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN8O2S/c1-9-22-16(25-17(19)23-9)12-3-2-6-20-15(12)24-10-7-13(14(18)21-8-10)26-29(27,28)11-4-5-11/h2-3,6-8,11,26H,4-5H2,1H3,(H,20,24)(H2,19,22,23,25).
What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 432.90 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 59548471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).