1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine

C17H23N7O2 — CID 168606000

IUPAC1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H23N7O2/c18-16(19)22-17(20)21-12-3-5-13(6-4-12)24-7-1-2-14(15(24)25)23-8-10-26-11-9-23/h2-6H,1,7-11H2,(H6,18,19,20,21,22)
InChIKeyRPXARZFWFNWWGU-UHFFFAOYSA-N
MW357.42 g/mol
LogP-0.14
Rot. Bonds3

About 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine (PubChem CID 168606000) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine
PubChem CID168606000
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H23N7O2/c18-16(19)22-17(20)21-12-3-5-13(6-4-12)24-7-1-2-14(15(24)25)23-8-10-26-11-9-23/h2-6H,1,7-11H2,(H6,18,19,20,21,22)
InChIKeyRPXARZFWFNWWGU-UHFFFAOYSA-N
XLogP-0.14
TPSA135.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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

1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium
CID 145234696
2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169341997
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
CID 11971736
1-(diaminomethylidene)-2-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]guanidine
CID 168601488
1-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168602367
1-(diaminomethylidene)-2-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]guanidine
CID 168604194
1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine
CID 168603417
1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one
CID 158323736
1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 118086872
1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine
CID 168606003
2-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604933
1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine
CID 168603317

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine (CID 168606000) is 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine?
The InChIKey is RPXARZFWFNWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c18-16(19)22-17(20)21-12-3-5-13(6-4-12)24-7-1-2-14(15(24)25)23-8-10-26-11-9-23/h2-6H,1,7-11H2,(H6,18,19,20,21,22).
What are the key properties of 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine has a molecular weight of 357.42 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine is sourced from PubChem (CID 168606000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).