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

C19H31N7O3 — CID 87264302

IUPACN-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(C2CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H31N7O3/c1-2-3-4-7-15(12-26(29)13-27)17(28)23-24-18-20-16(14-8-9-14)21-19(22-18)25-10-5-6-11-25/h13-15,29H,2-12H2,1H3,(H,23,28)(H,20,21,22,24)
InChIKeyWFHPAJACVZQCRP-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.84
Rot. Bonds12

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

N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264302) has the molecular formula C19H31N7O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264302
Molecular FormulaC19H31N7O3
Molecular Weight405.50 g/mol
Exact Mass405.25
IUPAC NameN-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(C2CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H31N7O3/c1-2-3-4-7-15(12-26(29)13-27)17(28)23-24-18-20-16(14-8-9-14)21-19(22-18)25-10-5-6-11-25/h13-15,29H,2-12H2,1H3,(H,23,28)(H,20,21,22,24)
InChIKeyWFHPAJACVZQCRP-UHFFFAOYSA-N
XLogP1.84
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264302) is N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1nc(C2CC2)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is WFHPAJACVZQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O3/c1-2-3-4-7-15(12-26(29)13-27)17(28)23-24-18-20-16(14-8-9-14)21-19(22-18)25-10-5-6-11-25/h13-15,29H,2-12H2,1H3,(H,23,28)(H,20,21,22,24).
What are the key properties of N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 405.50 g/mol, XLogP of 1.84, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).