N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide

C23H32N6O2 — CID 111994679

IUPACN-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C23H32N6O2/c1-3-24-23(26-13-12-25-22(31)19-6-4-5-7-20(19)30)28-18-10-14-29(15-11-18)21-9-8-17(2)16-27-21/h4-9,16,18,30H,3,10-15H2,1-2H3,(H,25,31)(H2,24,26,28)
InChIKeySDUUWLMMMVDOJS-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.05
Rot. Bonds7

About N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide

N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide (PubChem CID 111994679) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
PubChem CID111994679
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C23H32N6O2/c1-3-24-23(26-13-12-25-22(31)19-6-4-5-7-20(19)30)28-18-10-14-29(15-11-18)21-9-8-17(2)16-27-21/h4-9,16,18,30H,3,10-15H2,1-2H3,(H,25,31)(H2,24,26,28)
InChIKeySDUUWLMMMVDOJS-UHFFFAOYSA-N
XLogP2.05
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111993344
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111994685
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111993158
N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111993822
N-[2-[[ethylamino-[[1-(3-fluorophenyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994220
1-ethyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-(naphthalen-1-ylmethyl)guanidine
CID 111978208
N-[2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994192
N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111997423
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-ethyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine
CID 111994371
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111142070
N-[2-[[ethylamino-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111995202
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 109440895

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide (CID 111994679) is N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide is CCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
The InChIKey is SDUUWLMMMVDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-3-24-23(26-13-12-25-22(31)19-6-4-5-7-20(19)30)28-18-10-14-29(15-11-18)21-9-8-17(2)16-27-21/h4-9,16,18,30H,3,10-15H2,1-2H3,(H,25,31)(H2,24,26,28).
What are the key properties of N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide has a molecular weight of 424.55 g/mol, XLogP of 2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 111994679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).