N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine

C20H16ClN7O2 — CID 173234269

IUPACN-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ncc(-c3cnc[nH]3)c(-c3ccccc3Cl)n2)nc1
InChIInChI=1S/C20H16ClN7O2/c21-16-4-2-1-3-14(16)20-15(17-11-22-12-26-17)10-25-19(27-20)7-8-23-18-6-5-13(9-24-18)28(29)30/h1-6,9-12H,7-8H2,(H,22,26)(H,23,24)
InChIKeyAQEXGJRWKRXLEX-UHFFFAOYSA-N
MW421.85 g/mol
LogP4.14
Rot. Bonds7

About N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine

N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine (PubChem CID 173234269) has the molecular formula C20H16ClN7O2 and a molecular weight of 421.85 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine
PubChem CID173234269
Molecular FormulaC20H16ClN7O2
Molecular Weight421.85 g/mol
Exact Mass421.11
IUPAC NameN-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ncc(-c3cnc[nH]3)c(-c3ccccc3Cl)n2)nc1
InChIInChI=1S/C20H16ClN7O2/c21-16-4-2-1-3-14(16)20-15(17-11-22-12-26-17)10-25-19(27-20)7-8-23-18-6-5-13(9-24-18)28(29)30/h1-6,9-12H,7-8H2,(H,22,26)(H,23,24)
InChIKeyAQEXGJRWKRXLEX-UHFFFAOYSA-N
XLogP4.14
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine 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

N-[2-[5-(1H-imidazol-5-yl)-4-(4-methylphenyl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine
CID 173279180
N'-[4-(2,4-dimethylphenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 22142747
4-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile
CID 22142480
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
N-[2-[[4-(2-cyanophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]amino]ethyl]-4-nitrobenzenesulfonamide
CID 90962093
N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 142649362
N-[1-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine
CID 173234270
N-[2-(3-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 18194894
5-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 113253354
2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472163
N-[2-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethyl]-6-methoxy-5-nitropyridin-2-amine
CID 173234265
N-[2-[5-(2-aminoethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]-5-nitropyridin-2-amine
CID 68710531

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine (CID 173234269) is N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCCc2ncc(-c3cnc[nH]3)c(-c3ccccc3Cl)n2)nc1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine?
The InChIKey is AQEXGJRWKRXLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O2/c21-16-4-2-1-3-14(16)20-15(17-11-22-12-26-17)10-25-19(27-20)7-8-23-18-6-5-13(9-24-18)28(29)30/h1-6,9-12H,7-8H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine?
N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine has a molecular weight of 421.85 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)-5-(1H-imidazol-5-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 173234269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).