N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide

C22H31IN6O2 — CID 111993344

IUPACN-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C22H30N6O2.HI/c1-2-23-22(26-14-13-25-21(30)18-7-3-4-8-19(18)29)27-17-10-15-28(16-11-17)20-9-5-6-12-24-20;/h3-9,12,17,29H,2,10-11,13-16H2,1H3,(H,25,30)(H2,23,26,27);1H
InChIKeyARFBDMVWHPTRON-UHFFFAOYSA-N
MW538.43 g/mol
LogP2.36
Rot. Bonds7

About N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide

N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide (PubChem CID 111993344) has the molecular formula C22H31IN6O2 and a molecular weight of 538.43 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
PubChem CID111993344
Molecular FormulaC22H31IN6O2
Molecular Weight538.43 g/mol
Exact Mass538.16
IUPAC NameN-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C22H30N6O2.HI/c1-2-23-22(26-14-13-25-21(30)18-7-3-4-8-19(18)29)27-17-10-15-28(16-11-17)20-9-5-6-12-24-20;/h3-9,12,17,29H,2,10-11,13-16H2,1H3,(H,25,30)(H2,23,26,27);1H
InChIKeyARFBDMVWHPTRON-UHFFFAOYSA-N
XLogP2.36
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.43
LogP ≤ 52.36
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111994679
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-2-[(4-hydroxyphenyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 111984399
N-[2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994192
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111142070
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-ethyl-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111992770
N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111997423
1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111978079
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111993158
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-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111192093

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide (CID 111993344) is N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide is CCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The InChIKey is ARFBDMVWHPTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2.HI/c1-2-23-22(26-14-13-25-21(30)18-7-3-4-8-19(18)29)27-17-10-15-28(16-11-17)20-9-5-6-12-24-20;/h3-9,12,17,29H,2,10-11,13-16H2,1H3,(H,25,30)(H2,23,26,27);1H.
What are the key properties of N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide has a molecular weight of 538.43 g/mol, XLogP of 2.36, 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-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide is sourced from PubChem (CID 111993344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).