N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide

C13H20IN5O2 — CID 111055570

IUPACN-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1cccnc1)N1CCOCC1
InChIInChI=1S/C13H19N5O2.HI/c14-13(18-6-8-20-9-7-18)17-5-4-16-12(19)11-2-1-3-15-10-11;/h1-3,10H,4-9H2,(H2,14,17)(H,16,19);1H
InChIKeyPOALBDPCYXOOJM-UHFFFAOYSA-N
MW405.24 g/mol
LogP0.08
Rot. Bonds4

About N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide

N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (PubChem CID 111055570) has the molecular formula C13H20IN5O2 and a molecular weight of 405.24 g/mol. Its IUPAC name is N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
PubChem CID111055570
Molecular FormulaC13H20IN5O2
Molecular Weight405.24 g/mol
Exact Mass405.07
IUPAC NameN-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1cccnc1)N1CCOCC1
InChIInChI=1S/C13H19N5O2.HI/c14-13(18-6-8-20-9-7-18)17-5-4-16-12(19)11-2-1-3-15-10-11;/h1-3,10H,4-9H2,(H2,14,17)(H,16,19);1H
InChIKeyPOALBDPCYXOOJM-UHFFFAOYSA-N
XLogP0.08
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[amino(piperidin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055652
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
N-[3-[[amino(morpholin-4-yl)methylidene]amino]propyl]-3-bromobenzamide
CID 111094139
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111187375
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111091935
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055830
N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055564
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (CID 111055570) is N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is I.N/C(=N\CCNC(=O)c1cccnc1)N1CCOCC1.
What is the InChIKey of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The InChIKey is POALBDPCYXOOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.HI/c14-13(18-6-8-20-9-7-18)17-5-4-16-12(19)11-2-1-3-15-10-11;/h1-3,10H,4-9H2,(H2,14,17)(H,16,19);1H.
What are the key properties of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide has a molecular weight of 405.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111055570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).