N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C23H40N8O3 — CID 87264355

IUPACN-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncnc([C@@H](C)N(C2CC2)C2CCN(C)CC2)n1
InChIInChI=1S/C23H40N8O3/c1-4-5-6-7-18(14-30(34)16-32)22(33)27-28-23-25-15-24-21(26-23)17(2)31(19-8-9-19)20-10-12-29(3)13-11-20/h15-20,34H,4-14H2,1-3H3,(H,27,33)(H,24,25,26,28)/t17-,18?/m1/s1
InChIKeyBRRKVUCZAYNAKU-QNSVNVJESA-N
MW476.63 g/mol
LogP1.98
Rot. Bonds14

About N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264355) has the molecular formula C23H40N8O3 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264355
Molecular FormulaC23H40N8O3
Molecular Weight476.63 g/mol
Exact Mass476.32
IUPAC NameN-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncnc([C@@H](C)N(C2CC2)C2CCN(C)CC2)n1
InChIInChI=1S/C23H40N8O3/c1-4-5-6-7-18(14-30(34)16-32)22(33)27-28-23-25-15-24-21(26-23)17(2)31(19-8-9-19)20-10-12-29(3)13-11-20/h15-20,34H,4-14H2,1-3H3,(H,27,33)(H,24,25,26,28)/t17-,18?/m1/s1
InChIKeyBRRKVUCZAYNAKU-QNSVNVJESA-N
XLogP1.98
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 51.98
H-Bond Donors ≤ 53
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-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-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-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264355) is N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1ncnc([C@@H](C)N(C2CC2)C2CCN(C)CC2)n1.
What is the InChIKey of N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is BRRKVUCZAYNAKU-QNSVNVJESA-N. The full InChI is InChI=1S/C23H40N8O3/c1-4-5-6-7-18(14-30(34)16-32)22(33)27-28-23-25-15-24-21(26-23)17(2)31(19-8-9-19)20-10-12-29(3)13-11-20/h15-20,34H,4-14H2,1-3H3,(H,27,33)(H,24,25,26,28)/t17-,18?/m1/s1.
What are the key properties of N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 476.63 g/mol, XLogP of 1.98, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).