3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

C18H29N5O2 — CID 111190794

IUPAC3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC1CCC(O)CC1
InChIInChI=1S/C18H29N5O2/c1-3-19-18(22-14-7-9-15(24)10-8-14)20-12-11-17(25)23-16-6-4-5-13(2)21-16/h4-6,14-15,24H,3,7-12H2,1-2H3,(H2,19,20,22)(H,21,23,25)
InChIKeyODZWHSYPRKQLII-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.58
Rot. Bonds6

About 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 111190794) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID111190794
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC1CCC(O)CC1
InChIInChI=1S/C18H29N5O2/c1-3-19-18(22-14-7-9-15(24)10-8-14)20-12-11-17(25)23-16-6-4-5-13(2)21-16/h4-6,14-15,24H,3,7-12H2,1-2H3,(H2,19,20,22)(H,21,23,25)
InChIKeyODZWHSYPRKQLII-UHFFFAOYSA-N
XLogP1.58
TPSA98.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110989418
3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111256966
3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111019839
3-[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111912751
N-(3-chloro-2-methylphenyl)-3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]propanamide
CID 110988564
3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111237589
3-[[ethylamino-[2-(4-fluorophenyl)ethylamino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111230585
3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110942644
3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110942643
3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111387204
2-[2-(2,6-dimethylphenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190342
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111190417

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 111190794) is 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is CCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC1CCC(O)CC1.
What is the InChIKey of 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is ODZWHSYPRKQLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-19-18(22-14-7-9-15(24)10-8-14)20-12-11-17(25)23-16-6-4-5-13(2)21-16/h4-6,14-15,24H,3,7-12H2,1-2H3,(H2,19,20,22)(H,21,23,25).
What are the key properties of 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 111190794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).