[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone

C16H18Cl2N6O — CID 129152966

IUPAC[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESCC1C(N)=C(N(N)c2ncc[nH]2)CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N6O/c1-9-14(19)12(24(20)16-21-6-7-22-16)5-8-23(9)15(25)10-3-2-4-11(17)13(10)18/h2-4,6-7,9H,5,8,19-20H2,1H3,(H,21,22)
InChIKeyHCOZDFOIMDTXHZ-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.50
Rot. Bonds3

About [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone

[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 129152966) has the molecular formula C16H18Cl2N6O and a molecular weight of 381.27 g/mol. Its IUPAC name is [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone
PubChem CID129152966
Molecular FormulaC16H18Cl2N6O
Molecular Weight381.27 g/mol
Exact Mass380.09
IUPAC Name[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESCC1C(N)=C(N(N)c2ncc[nH]2)CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N6O/c1-9-14(19)12(24(20)16-21-6-7-22-16)5-8-23(9)15(25)10-3-2-4-11(17)13(10)18/h2-4,6-7,9H,5,8,19-20H2,1H3,(H,21,22)
InChIKeyHCOZDFOIMDTXHZ-UHFFFAOYSA-N
XLogP2.50
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone 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 [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone (CID 129152966) is [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone is CC1C(N)=C(N(N)c2ncc[nH]2)CCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is HCOZDFOIMDTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6O/c1-9-14(19)12(24(20)16-21-6-7-22-16)5-8-23(9)15(25)10-3-2-4-11(17)13(10)18/h2-4,6-7,9H,5,8,19-20H2,1H3,(H,21,22).
What are the key properties of [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone?
[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 381.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 129152966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).