N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine

C25H32N8O — CID 69468568

IUPACN-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine
SMILESNC(N)=NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(N2CCCCC2)cc1.[H]N=C(N)N
InChIInChI=1S/C24H27N5O.CH5N3/c25-24(26)27-23(30)17-29-21(18-7-3-1-4-8-18)13-14-22(29)19-9-11-20(12-10-19)28-15-5-2-6-16-28;2-1(3)4/h1,3-4,7-14H,2,5-6,15-17H2,(H4,25,26,27,30);(H5,2,3,4)
InChIKeySDOWHCMOSDYTKR-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.45
Rot. Bonds5

About N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine

N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine (PubChem CID 69468568) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine
PubChem CID69468568
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC NameN-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine
SMILESNC(N)=NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(N2CCCCC2)cc1.[H]N=C(N)N
InChIInChI=1S/C24H27N5O.CH5N3/c25-24(26)27-23(30)17-29-21(18-7-3-1-4-8-18)13-14-22(29)19-9-11-20(12-10-19)28-15-5-2-6-16-28;2-1(3)4/h1,3-4,7-14H,2,5-6,15-17H2,(H4,25,26,27,30);(H5,2,3,4)
InChIKeySDOWHCMOSDYTKR-UHFFFAOYSA-N
XLogP2.45
TPSA165.53 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 52.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine?
The IUPAC name of N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine (CID 69468568) is N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine.
What is the SMILES notation for N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine?
The canonical SMILES for N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine is NC(N)=NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(N2CCCCC2)cc1.[H]N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine?
The InChIKey is SDOWHCMOSDYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.CH5N3/c25-24(26)27-23(30)17-29-21(18-7-3-1-4-8-18)13-14-22(29)19-9-11-20(12-10-19)28-15-5-2-6-16-28;2-1(3)4/h1,3-4,7-14H,2,5-6,15-17H2,(H4,25,26,27,30);(H5,2,3,4).
What are the key properties of N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine?
N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine has a molecular weight of 460.59 g/mol, XLogP of 2.45, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-[2-phenyl-5-(4-piperidin-1-ylphenyl)pyrrol-1-yl]acetamide;guanidine is sourced from PubChem (CID 69468568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).