3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide

C14H23N5O — CID 110927806

IUPAC3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCCNC(=NCCC(=O)Nc1ccc(C)cn1)NCC
InChIInChI=1S/C14H23N5O/c1-4-15-14(16-5-2)17-9-8-13(20)19-12-7-6-11(3)10-18-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)(H,18,19,20)
InChIKeyBZMOQMQNMORBFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.29
Rot. Bonds6

About 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide

3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 110927806) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID110927806
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCCNC(=NCCC(=O)Nc1ccc(C)cn1)NCC
InChIInChI=1S/C14H23N5O/c1-4-15-14(16-5-2)17-9-8-13(20)19-12-7-6-11(3)10-18-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)(H,18,19,20)
InChIKeyBZMOQMQNMORBFQ-UHFFFAOYSA-N
XLogP1.29
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
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-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111126583
3-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111005549
3-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111362681
3-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110974911
3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111213833
3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111180452
3-[2-[[N-ethyl-N'-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631697
3-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110996264
3-[[N-ethyl-N'-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111906356
3-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111406446
3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 109453216
3-[[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110972225

Frequently Asked Questions

What is the IUPAC name of 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide (CID 110927806) is 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide is CCNC(=NCCC(=O)Nc1ccc(C)cn1)NCC.
What is the InChIKey of 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is BZMOQMQNMORBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-15-14(16-5-2)17-9-8-13(20)19-12-7-6-11(3)10-18-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)(H,18,19,20).
What are the key properties of 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 110927806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).