3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

C16H27N5O2 — CID 111237589

IUPAC3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC(C)COC
InChIInChI=1S/C16H27N5O2/c1-5-17-16(20-13(3)11-23-4)18-10-9-15(22)21-14-8-6-7-12(2)19-14/h6-8,13H,5,9-11H2,1-4H3,(H2,17,18,20)(H,19,21,22)
InChIKeyHLVVOEZLGMANBF-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.31
Rot. Bonds8

About 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 111237589) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID111237589
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC(C)COC
InChIInChI=1S/C16H27N5O2/c1-5-17-16(20-13(3)11-23-4)18-10-9-15(22)21-14-8-6-7-12(2)19-14/h6-8,13H,5,9-11H2,1-4H3,(H2,17,18,20)(H,19,21,22)
InChIKeyHLVVOEZLGMANBF-UHFFFAOYSA-N
XLogP1.31
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.31
H-Bond Donors ≤ 53
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-[[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-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110989418
N-(4-bromo-2-methylphenyl)-3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide;hydroiodide
CID 111234464
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111190794
3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111256966
3-[[ethylamino-[2-(4-fluorophenyl)ethylamino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111230585
3-[[N-ethyl-N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111403200
N-[3-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenyl]butanamide
CID 111235021
3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111019839
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
N-[4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenyl]butanamide
CID 111237363

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 111237589) is 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is CCN/C(=N\CCC(=O)Nc1cccc(C)n1)NC(C)COC.
What is the InChIKey of 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is HLVVOEZLGMANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-17-16(20-13(3)11-23-4)18-10-9-15(22)21-14-8-6-7-12(2)19-14/h6-8,13H,5,9-11H2,1-4H3,(H2,17,18,20)(H,19,21,22).
What are the key properties of 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 321.43 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 111237589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).