N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide

C24H24N6O4S — CID 11997536

IUPACN-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)NO)cn2)CC4)c1
InChIInChI=1S/C24H24N6O4S/c1-35(33,34)27-11-15-3-2-4-16(9-15)17-5-6-21-19(10-17)20-14-30(8-7-22(20)28-21)24-25-12-18(13-26-24)23(31)29-32/h2-6,9-10,12-13,27-28,32H,7-8,11,14H2,1H3,(H,29,31)
InChIKeyPGIXSXHFAKJMGY-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.36
Rot. Bonds6

About N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide (PubChem CID 11997536) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
PubChem CID11997536
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC NameN-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)NO)cn2)CC4)c1
InChIInChI=1S/C24H24N6O4S/c1-35(33,34)27-11-15-3-2-4-16(9-15)17-5-6-21-19(10-17)20-14-30(8-7-22(20)28-21)24-25-12-18(13-26-24)23(31)29-32/h2-6,9-10,12-13,27-28,32H,7-8,11,14H2,1H3,(H,29,31)
InChIKeyPGIXSXHFAKJMGY-UHFFFAOYSA-N
XLogP2.36
TPSA140.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide 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-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide (CID 11997536) is N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide is CS(=O)(=O)NCc1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)NO)cn2)CC4)c1.
What is the InChIKey of N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is PGIXSXHFAKJMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-35(33,34)27-11-15-3-2-4-16(9-15)17-5-6-21-19(10-17)20-14-30(8-7-22(20)28-21)24-25-12-18(13-26-24)23(31)29-32/h2-6,9-10,12-13,27-28,32H,7-8,11,14H2,1H3,(H,29,31).
What are the key properties of N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 11997536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).