N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride

C15H23Cl2N5O2 — CID 172954645

IUPACN-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride
SMILESCCC(=O)N/N=C(\C)c1cccc(/C(C)=N/NC(=O)CC)n1.Cl.Cl
InChIInChI=1S/C15H21N5O2.2ClH/c1-5-14(21)19-17-10(3)12-8-7-9-13(16-12)11(4)18-20-15(22)6-2;;/h7-9H,5-6H2,1-4H3,(H,19,21)(H,20,22);2*1H/b17-10+,18-11+;;
InChIKeyROCQFHRWEMZIJN-UOTOKQMBSA-N
MW376.29 g/mol
LogP2.43
Rot. Bonds6

About N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride

N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride (PubChem CID 172954645) has the molecular formula C15H23Cl2N5O2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride
PubChem CID172954645
Molecular FormulaC15H23Cl2N5O2
Molecular Weight376.29 g/mol
Exact Mass375.12
IUPAC NameN-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride
SMILESCCC(=O)N/N=C(\C)c1cccc(/C(C)=N/NC(=O)CC)n1.Cl.Cl
InChIInChI=1S/C15H21N5O2.2ClH/c1-5-14(21)19-17-10(3)12-8-7-9-13(16-12)11(4)18-20-15(22)6-2;;/h7-9H,5-6H2,1-4H3,(H,19,21)(H,20,22);2*1H/b17-10+,18-11+;;
InChIKeyROCQFHRWEMZIJN-UOTOKQMBSA-N
XLogP2.43
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-1-[6-[(Z)-N-(diethylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-1,1-diethylthiourea
CID 5465930
[1-[6-[N-(carbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3940512
4-tert-butyl-N-[(E)-1-[6-[(E)-N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 15787905
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-[(E)-1-(6-chloro-3-pyridinyl)ethylideneamino]propanamide
CID 14987487
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride?
The IUPAC name of N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride (CID 172954645) is N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride.
What is the SMILES notation for N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride?
The canonical SMILES for N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride is CCC(=O)N/N=C(\C)c1cccc(/C(C)=N/NC(=O)CC)n1.Cl.Cl.
What is the InChIKey of N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride?
The InChIKey is ROCQFHRWEMZIJN-UOTOKQMBSA-N. The full InChI is InChI=1S/C15H21N5O2.2ClH/c1-5-14(21)19-17-10(3)12-8-7-9-13(16-12)11(4)18-20-15(22)6-2;;/h7-9H,5-6H2,1-4H3,(H,19,21)(H,20,22);2*1H/b17-10+,18-11+;;.
What are the key properties of N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride?
N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride has a molecular weight of 376.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride is sourced from PubChem (CID 172954645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).