N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide

C15H26IN5O2 — CID 111234908

IUPACN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)NC(C)COC.I
InChIInChI=1S/C15H25N5O2.HI/c1-4-17-15(20-12(2)11-22-3)19-9-8-18-14(21)13-6-5-7-16-10-13;/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,21)(H2,17,19,20);1H
InChIKeyXXYZYRYANSYHJC-UHFFFAOYSA-N
MW435.31 g/mol
LogP1.02
Rot. Bonds8

About N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide

N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (PubChem CID 111234908) has the molecular formula C15H26IN5O2 and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
PubChem CID111234908
Molecular FormulaC15H26IN5O2
Molecular Weight435.31 g/mol
Exact Mass435.11
IUPAC NameN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)NC(C)COC.I
InChIInChI=1S/C15H25N5O2.HI/c1-4-17-15(20-12(2)11-22-3)19-9-8-18-14(21)13-6-5-7-16-10-13;/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,21)(H2,17,19,20);1H
InChIKeyXXYZYRYANSYHJC-UHFFFAOYSA-N
XLogP1.02
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
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-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111000715
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111235368
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111004866
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111234473
N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111310205
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111236399
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 110944029
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111237798
N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111170543
N-[2-[[N-ethyl-N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111403093
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111255717
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111125900

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide (CID 111234908) is N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is CCN/C(=N\CCNC(=O)c1cccnc1)NC(C)COC.I.
What is the InChIKey of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The InChIKey is XXYZYRYANSYHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.HI/c1-4-17-15(20-12(2)11-22-3)19-9-8-18-14(21)13-6-5-7-16-10-13;/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,21)(H2,17,19,20);1H.
What are the key properties of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide has a molecular weight of 435.31 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111234908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).