N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide

C23H23ClN4O — CID 11742104

IUPACN-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H23ClN4O/c24-20-19-18(5-6-25-20)27-21(28-19)16-1-3-17(4-2-16)26-22(29)23-10-13-7-14(11-23)9-15(8-13)12-23/h1-6,13-15H,7-12H2,(H,26,29)(H,27,28)
InChIKeyCHGNZOIQYKHXAI-UHFFFAOYSA-N
MW406.92 g/mol
LogP5.43
Rot. Bonds3

About N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide

N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide (PubChem CID 11742104) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide
PubChem CID11742104
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC NameN-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H23ClN4O/c24-20-19-18(5-6-25-20)27-21(28-19)16-1-3-17(4-2-16)26-22(29)23-10-13-7-14(11-23)9-15(8-13)12-23/h1-6,13-15H,7-12H2,(H,26,29)(H,27,28)
InChIKeyCHGNZOIQYKHXAI-UHFFFAOYSA-N
XLogP5.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide 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-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide (CID 11742104) is N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide is O=C(Nc1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
The InChIKey is CHGNZOIQYKHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-20-19-18(5-6-25-20)27-21(28-19)16-1-3-17(4-2-16)26-22(29)23-10-13-7-14(11-23)9-15(8-13)12-23/h1-6,13-15H,7-12H2,(H,26,29)(H,27,28).
What are the key properties of N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide?
N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 11742104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).