3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide

C14H21N5O2 — CID 111093042

IUPAC3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CC/N=C(\N)N2CCOCC2)nc1
InChIInChI=1S/C14H21N5O2/c1-11-2-3-12(17-10-11)18-13(20)4-5-16-14(15)19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H2,15,16)(H,17,18,20)
InChIKeyWXHCNZSEUOLHEP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.37
Rot. Bonds4

About 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide

3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 111093042) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID111093042
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CC/N=C(\N)N2CCOCC2)nc1
InChIInChI=1S/C14H21N5O2/c1-11-2-3-12(17-10-11)18-13(20)4-5-16-14(15)19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H2,15,16)(H,17,18,20)
InChIKeyWXHCNZSEUOLHEP-UHFFFAOYSA-N
XLogP0.37
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
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-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110927813
tert-butyl 4-[N'-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]piperazine-1-carboxylate
CID 111093098
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110030806
3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110927806
3-[[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110972225
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111145575
3-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111314182
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904086
3-[[ethylamino-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111242526
N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378664

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide (CID 111093042) is 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)CC/N=C(\N)N2CCOCC2)nc1.
What is the InChIKey of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is WXHCNZSEUOLHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-2-3-12(17-10-11)18-13(20)4-5-16-14(15)19-6-8-21-9-7-19/h2-3,10H,4-9H2,1H3,(H2,15,16)(H,17,18,20).
What are the key properties of 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(morpholin-4-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 111093042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).