3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide

C16H26IN5O — CID 110927813

IUPAC3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCc1ccc(NC(=O)CC/N=C(\N)N2CCC(C)CC2)nc1.I
InChIInChI=1S/C16H25N5O.HI/c1-12-6-9-21(10-7-12)16(17)18-8-5-15(22)20-14-4-3-13(2)11-19-14;/h3-4,11-12H,5-10H2,1-2H3,(H2,17,18)(H,19,20,22);1H
InChIKeyLVKDJDRZNYKDJR-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.38
Rot. Bonds4

About 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide

3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide (PubChem CID 110927813) has the molecular formula C16H26IN5O and a molecular weight of 431.32 g/mol. Its IUPAC name is 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
PubChem CID110927813
Molecular FormulaC16H26IN5O
Molecular Weight431.32 g/mol
Exact Mass431.12
IUPAC Name3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
SMILESCc1ccc(NC(=O)CC/N=C(\N)N2CCC(C)CC2)nc1.I
InChIInChI=1S/C16H25N5O.HI/c1-12-6-9-21(10-7-12)16(17)18-8-5-15(22)20-14-4-3-13(2)11-19-14;/h3-4,11-12H,5-10H2,1-2H3,(H2,17,18)(H,19,20,22);1H
InChIKeyLVKDJDRZNYKDJR-UHFFFAOYSA-N
XLogP2.38
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111093042
tert-butyl 4-[N'-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]piperazine-1-carboxylate
CID 111093098
3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111145575
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110030806
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 110920491
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
CID 110920535
3-[[(3-benzylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111725560
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110927806
3-[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111748218
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111074237

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
The IUPAC name of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide (CID 110927813) is 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide is Cc1ccc(NC(=O)CC/N=C(\N)N2CCC(C)CC2)nc1.I.
What is the InChIKey of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
The InChIKey is LVKDJDRZNYKDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O.HI/c1-12-6-9-21(10-7-12)16(17)18-8-5-15(22)20-14-4-3-13(2)11-19-14;/h3-4,11-12H,5-10H2,1-2H3,(H2,17,18)(H,19,20,22);1H.
What are the key properties of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide?
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide has a molecular weight of 431.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide is sourced from PubChem (CID 110927813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).