3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

C16H25N5O — CID 111074237

IUPAC3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CC/N=C(\N)N2CCCC(C)C2)n1
InChIInChI=1S/C16H25N5O/c1-12-5-4-10-21(11-12)16(17)18-9-8-15(22)20-14-7-3-6-13(2)19-14/h3,6-7,12H,4-5,8-11H2,1-2H3,(H2,17,18)(H,19,20,22)
InChIKeyWRRSRHWDAABFGG-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.77
Rot. Bonds4

About 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 111074237) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID111074237
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CC/N=C(\N)N2CCCC(C)C2)n1
InChIInChI=1S/C16H25N5O/c1-12-5-4-10-21(11-12)16(17)18-9-8-15(22)20-14-7-3-6-13(2)19-14/h3,6-7,12H,4-5,8-11H2,1-2H3,(H2,17,18)(H,19,20,22)
InChIKeyWRRSRHWDAABFGG-UHFFFAOYSA-N
XLogP1.77
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092452
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092451
3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide
CID 98753910
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-methylpiperidine-1-carboximidamide
CID 111810724
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110927813
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095102
3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111256966
3-[[amino-(2,6-diethylanilino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074213
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 111074237) is 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CC/N=C(\N)N2CCCC(C)C2)n1.
What is the InChIKey of 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is WRRSRHWDAABFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-5-4-10-21(11-12)16(17)18-9-8-15(22)20-14-7-3-6-13(2)19-14/h3,6-7,12H,4-5,8-11H2,1-2H3,(H2,17,18)(H,19,20,22).
What are the key properties of 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 111074237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).