6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

C25H22ClN5O2 — CID 10204815

IUPAC6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3cccc(Cl)n3)C2)cn1
InChIInChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)
InChIKeyHQUWRDCCNSLORW-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.40
Rot. Bonds6

About 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 10204815) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID10204815
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3cccc(Cl)n3)C2)cn1
InChIInChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)
InChIKeyHQUWRDCCNSLORW-UHFFFAOYSA-N
XLogP4.40
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (CID 10204815) is 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is O=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3cccc(Cl)n3)C2)cn1.
What is the InChIKey of 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is HQUWRDCCNSLORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32).
What are the key properties of 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 10204815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).