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

C18H20ClN9O3S — CID 59548444

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C18H20ClN9O3S/c1-11-23-17(26-18(20)24-11)13-3-2-4-21-16(13)25-12-9-14(15(19)22-10-12)27-32(29,30)28-5-7-31-8-6-28/h2-4,9-10,27H,5-8H2,1H3,(H,21,25)(H2,20,23,24,26)
InChIKeyAZUIZZBFQBKTCG-UHFFFAOYSA-N
MW477.94 g/mol
LogP1.61
Rot. Bonds6

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

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide (PubChem CID 59548444) has the molecular formula C18H20ClN9O3S and a molecular weight of 477.94 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]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide
PubChem CID59548444
Molecular FormulaC18H20ClN9O3S
Molecular Weight477.94 g/mol
Exact Mass477.11
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C18H20ClN9O3S/c1-11-23-17(26-18(20)24-11)13-3-2-4-21-16(13)25-12-9-14(15(19)22-10-12)27-32(29,30)28-5-7-31-8-6-28/h2-4,9-10,27H,5-8H2,1H3,(H,21,25)(H2,20,23,24,26)
InChIKeyAZUIZZBFQBKTCG-UHFFFAOYSA-N
XLogP1.61
TPSA161.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.94
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]morpholine-4-sulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide (CID 59548444) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide.
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]morpholine-4-sulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide is Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)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]morpholine-4-sulfonamide?
The InChIKey is AZUIZZBFQBKTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN9O3S/c1-11-23-17(26-18(20)24-11)13-3-2-4-21-16(13)25-12-9-14(15(19)22-10-12)27-32(29,30)28-5-7-31-8-6-28/h2-4,9-10,27H,5-8H2,1H3,(H,21,25)(H2,20,23,24,26).
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]morpholine-4-sulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide has a molecular weight of 477.94 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 10 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]morpholine-4-sulfonamide is sourced from PubChem (CID 59548444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).