N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide

C16H25N5O — CID 111752286

IUPACN-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
SMILESN/C(=N\CCCNC(=O)C1CCC1)NCCc1ccccn1
InChIInChI=1S/C16H25N5O/c17-16(21-12-8-14-7-1-2-9-18-14)20-11-4-10-19-15(22)13-5-3-6-13/h1-2,7,9,13H,3-6,8,10-12H2,(H,19,22)(H3,17,20,21)
InChIKeyMNNJIVOOAOPLDP-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.83
Rot. Bonds8

About N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide

N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide (PubChem CID 111752286) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
PubChem CID111752286
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
SMILESN/C(=N\CCCNC(=O)C1CCC1)NCCc1ccccn1
InChIInChI=1S/C16H25N5O/c17-16(21-12-8-14-7-1-2-9-18-14)20-11-4-10-19-15(22)13-5-3-6-13/h1-2,7,9,13H,3-6,8,10-12H2,(H,19,22)(H3,17,20,21)
InChIKeyMNNJIVOOAOPLDP-UHFFFAOYSA-N
XLogP0.83
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111567241
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]-4-bromobenzamide
CID 111094025
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide (CID 111752286) is N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide is N/C(=N\CCCNC(=O)C1CCC1)NCCc1ccccn1.
What is the InChIKey of N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
The InChIKey is MNNJIVOOAOPLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-16(21-12-8-14-7-1-2-9-18-14)20-11-4-10-19-15(22)13-5-3-6-13/h1-2,7,9,13H,3-6,8,10-12H2,(H,19,22)(H3,17,20,21).
What are the key properties of N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide?
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 111752286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).