N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide

C17H29N7O3 — CID 87263886

IUPACN-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(C)nc(N2CCCC2)n1
InChIInChI=1S/C17H29N7O3/c1-3-4-5-8-14(11-24(27)12-25)15(26)21-22-16-18-13(2)19-17(20-16)23-9-6-7-10-23/h12,14,27H,3-11H2,1-2H3,(H,21,26)(H,18,19,20,22)
InChIKeyMSKFEPBBUQQATD-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.27
Rot. Bonds11

About N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87263886) has the molecular formula C17H29N7O3 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87263886
Molecular FormulaC17H29N7O3
Molecular Weight379.47 g/mol
Exact Mass379.23
IUPAC NameN-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(C)nc(N2CCCC2)n1
InChIInChI=1S/C17H29N7O3/c1-3-4-5-8-14(11-24(27)12-25)15(26)21-22-16-18-13(2)19-17(20-16)23-9-6-7-10-23/h12,14,27H,3-11H2,1-2H3,(H,21,26)(H,18,19,20,22)
InChIKeyMSKFEPBBUQQATD-UHFFFAOYSA-N
XLogP1.27
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

N-hydroxy-N-[(2R)-2-[[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264672
N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264302
N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264176
N-[(2S)-2-[[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263949
N-[2-[[[4-(4-ethylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263892
N-[(2R)-2-[[[4-(aminomethyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264719
N-[(2S)-2-[[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264253
N-[2-[[[4-ethyl-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263900
N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263887
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264343
N-hydroxy-N-[2-[[[5-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87263925
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide (CID 87263886) is N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide is CCCCCC(CN(O)C=O)C(=O)NNc1nc(C)nc(N2CCCC2)n1.
What is the InChIKey of N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is MSKFEPBBUQQATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7O3/c1-3-4-5-8-14(11-24(27)12-25)15(26)21-22-16-18-13(2)19-17(20-16)23-9-6-7-10-23/h12,14,27H,3-11H2,1-2H3,(H,21,26)(H,18,19,20,22).
What are the key properties of N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 379.47 g/mol, XLogP of 1.27, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87263886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).