2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide

C19H28N6O2 — CID 142804323

IUPAC2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCN(CCN(CCNC)Cc1ccccc1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C19H28N6O2/c1-3-25(19-21-13-17(14-22-19)18(26)23-27)12-11-24(10-9-20-2)15-16-7-5-4-6-8-16/h4-8,13-14,20,27H,3,9-12,15H2,1-2H3,(H,23,26)
InChIKeyDASXJXZVRYZNFT-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.14
Rot. Bonds11

About 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide

2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 142804323) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID142804323
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCN(CCN(CCNC)Cc1ccccc1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C19H28N6O2/c1-3-25(19-21-13-17(14-22-19)18(26)23-27)12-11-24(10-9-20-2)15-16-7-5-4-6-8-16/h4-8,13-14,20,27H,3,9-12,15H2,1-2H3,(H,23,26)
InChIKeyDASXJXZVRYZNFT-UHFFFAOYSA-N
XLogP1.14
TPSA93.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide (CID 142804323) is 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide is CCN(CCN(CCNC)Cc1ccccc1)c1ncc(C(=O)NO)cn1.
What is the InChIKey of 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is DASXJXZVRYZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-3-25(19-21-13-17(14-22-19)18(26)23-27)12-11-24(10-9-20-2)15-16-7-5-4-6-8-16/h4-8,13-14,20,27H,3,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.14, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl-[2-(methylamino)ethyl]amino]ethyl-ethylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 142804323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).