N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C19H33N7O4 — CID 87263900

IUPACN-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(CC)nc(N2CCCC2CO)n1
InChIInChI=1S/C19H33N7O4/c1-3-5-6-8-14(11-25(30)13-28)17(29)23-24-18-20-16(4-2)21-19(22-18)26-10-7-9-15(26)12-27/h13-15,27,30H,3-12H2,1-2H3,(H,23,29)(H,20,21,22,24)
InChIKeyBNCPFTJINHVETE-UHFFFAOYSA-N
MW423.52 g/mol
LogP0.88
Rot. Bonds13

About N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87263900) has the molecular formula C19H33N7O4 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87263900
Molecular FormulaC19H33N7O4
Molecular Weight423.52 g/mol
Exact Mass423.26
IUPAC NameN-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(CC)nc(N2CCCC2CO)n1
InChIInChI=1S/C19H33N7O4/c1-3-5-6-8-14(11-25(30)13-28)17(29)23-24-18-20-16(4-2)21-19(22-18)26-10-7-9-15(26)12-27/h13-15,27,30H,3-12H2,1-2H3,(H,23,29)(H,20,21,22,24)
InChIKeyBNCPFTJINHVETE-UHFFFAOYSA-N
XLogP0.88
TPSA143.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide 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-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87263900) is N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1nc(CC)nc(N2CCCC2CO)n1.
What is the InChIKey of N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is BNCPFTJINHVETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O4/c1-3-5-6-8-14(11-25(30)13-28)17(29)23-24-18-20-16(4-2)21-19(22-18)26-10-7-9-15(26)12-27/h13-15,27,30H,3-12H2,1-2H3,(H,23,29)(H,20,21,22,24).
What are the key properties of N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 423.52 g/mol, XLogP of 0.88, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87263900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).