1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine

C15H20N4O — CID 158151833

IUPAC1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(C2=NCC(=O)CC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-9-17-15(16)19-12-5-3-11(4-6-12)14-8-7-13(20)10-18-14/h3-6H,2,7-10H2,1H3,(H3,16,17,19)
InChIKeyFVEZKSJPYSVNGP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds4

About 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine

1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine (PubChem CID 158151833) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine
PubChem CID158151833
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(C2=NCC(=O)CC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-9-17-15(16)19-12-5-3-11(4-6-12)14-8-7-13(20)10-18-14/h3-6H,2,7-10H2,1H3,(H3,16,17,19)
InChIKeyFVEZKSJPYSVNGP-UHFFFAOYSA-N
XLogP1.98
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
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'}

Analyze 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine 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

1-(4-iodophenyl)-2-propylguanidine
CID 62380143
1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111821897
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111066380
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111096491
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine
CID 90644718
tert-butyl N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109377950
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine?
The IUPAC name of 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine (CID 158151833) is 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine.
What is the SMILES notation for 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine?
The canonical SMILES for 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine is CCC/N=C(\N)Nc1ccc(C2=NCC(=O)CC2)cc1.
What is the InChIKey of 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine?
The InChIKey is FVEZKSJPYSVNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-17-15(16)19-12-5-3-11(4-6-12)14-8-7-13(20)10-18-14/h3-6H,2,7-10H2,1H3,(H3,16,17,19).
What are the key properties of 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine?
1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine has a molecular weight of 272.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-oxo-4,5-dihydro-2H-pyridin-6-yl)phenyl]-2-propylguanidine is sourced from PubChem (CID 158151833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).